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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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-6fb7c079/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/USUV-6fb7c079/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: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -110.061234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.061234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.061234 (E_RNA)
where:
Base-Base interactions energy: -49.279
where: short stacking energy: -49.279
Base-Backbone interact. energy: -0.158
local terms energy: -60.624391
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -10.798
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -130.610412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.610412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.610412 (E_RNA)
where:
Base-Base interactions energy: -84.751
where: short stacking energy: -50.316
Base-Backbone interact. energy: -0.162
local terms energy: -45.697664
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -8.201
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -8.716
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: 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: 3
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -141.845024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.845024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.845024 (E_RNA)
where:
Base-Base interactions energy: -77.738
where: short stacking energy: -51.492
Base-Backbone interact. energy: -0.676
local terms energy: -63.430667
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -12.090
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -11.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -123.538714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.538714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.538714 (E_RNA)
where:
Base-Base interactions energy: -64.670
where: short stacking energy: -38.007
Base-Backbone interact. energy: -0.009
local terms energy: -58.859871
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -9.084
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -6.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -165.963766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.963766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.963766 (E_RNA)
where:
Base-Base interactions energy: -103.919
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.223
local terms energy: -61.822135
where:
bonds (distance) C4'-P energy: -11.682
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -10.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 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: 2
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -139.745744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.745744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.745744 (E_RNA)
where:
Base-Base interactions energy: -75.558
where: short stacking energy: -54.713
Base-Backbone interact. energy: -0.938
local terms energy: -63.249240
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -12.714
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: 3
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -149.406842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.406842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.406842 (E_RNA)
where:
Base-Base interactions energy: -82.700
where: short stacking energy: -44.771
Base-Backbone interact. energy: -0.150
local terms energy: -66.556726
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -16.537
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -9.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -146.674262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.674262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.674262 (E_RNA)
where:
Base-Base interactions energy: -96.076
where: short stacking energy: -43.421
Base-Backbone interact. energy: -0.379
local terms energy: -50.218748
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -13.257
flat angles P-C4'-P energy: -1.332
tors. eta vs tors. theta energy: -6.942
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: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -135.933227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.933227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.933227 (E_RNA)
where:
Base-Base interactions energy: -73.823
where: short stacking energy: -46.397
Base-Backbone interact. energy: -0.216
local terms energy: -61.895150
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -12.256
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: 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: 1
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -133.209347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.209347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.209347 (E_RNA)
where:
Base-Base interactions energy: -66.050
where: short stacking energy: -53.492
Base-Backbone interact. energy: -0.330
local terms energy: -66.829218
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -9.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -147.437660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.437660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.437660 (E_RNA)
where:
Base-Base interactions energy: -81.503
where: short stacking energy: -58.148
Base-Backbone interact. energy: -0.010
local terms energy: -65.924391
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -6.544
tors. eta vs tors. theta energy: -11.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -167.487320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.487320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.487320 (E_RNA)
where:
Base-Base interactions energy: -106.037
where: short stacking energy: -52.448
Base-Backbone interact. energy: 1.727
local terms energy: -63.177456
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -15.937
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -11.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -139.584171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.584171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.584171 (E_RNA)
where:
Base-Base interactions energy: -75.565
where: short stacking energy: -38.864
Base-Backbone interact. energy: -0.213
local terms energy: -63.805990
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -11.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -143.186996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.186996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.186996 (E_RNA)
where:
Base-Base interactions energy: -80.389
where: short stacking energy: -53.702
Base-Backbone interact. energy: -0.102
local terms energy: -62.696054
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -10.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -99.149118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.149118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.149118 (E_RNA)
where:
Base-Base interactions energy: -42.742
where: short stacking energy: -42.742
Base-Backbone interact. energy: -0.139
local terms energy: -56.268229
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -7.984
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 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: 1
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -153.824260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.824260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.824260 (E_RNA)
where:
Base-Base interactions energy: -92.223
where: short stacking energy: -38.677
Base-Backbone interact. energy: -0.427
local terms energy: -61.174269
where:
bonds (distance) C4'-P energy: -13.363
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -6.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -183.517497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.517497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.517497 (E_RNA)
where:
Base-Base interactions energy: -115.104
where: short stacking energy: -48.621
Base-Backbone interact. energy: -1.025
local terms energy: -67.388699
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -9.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -127.877535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.877535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.877535 (E_RNA)
where:
Base-Base interactions energy: -59.436
where: short stacking energy: -46.512
Base-Backbone interact. energy: -0.218
local terms energy: -68.222918
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -12.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -157.945814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.945814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.945814 (E_RNA)
where:
Base-Base interactions energy: -96.886
where: short stacking energy: -56.713
Base-Backbone interact. energy: -0.062
local terms energy: -60.998004
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -9.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -112.785641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.785641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.785641 (E_RNA)
where:
Base-Base interactions energy: -64.555
where: short stacking energy: -35.276
Base-Backbone interact. energy: -0.634
local terms energy: -47.596407
where:
bonds (distance) C4'-P energy: -10.968
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -11.856
flat angles P-C4'-P energy: -6.215
tors. eta vs tors. theta energy: -2.967
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: 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: 7
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -90.593206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.593206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.593206 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -37.617
Base-Backbone interact. energy: -0.069
local terms energy: -51.745095
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -8.334
flat angles C4'-P-C4' energy: -10.439
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -11.137
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: 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: -176.506779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.506779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.506779 (E_RNA)
where:
Base-Base interactions energy: -108.471
where: short stacking energy: -59.308
Base-Backbone interact. energy: -0.049
local terms energy: -67.986549
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -10.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -159.879871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.879871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.879871 (E_RNA)
where:
Base-Base interactions energy: -111.035
where: short stacking energy: -36.822
Base-Backbone interact. energy: -1.504
local terms energy: -47.340926
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -15.180
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -178.346523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.346523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.346523 (E_RNA)
where:
Base-Base interactions energy: -116.721
where: short stacking energy: -53.144
Base-Backbone interact. energy: -0.613
local terms energy: -61.011949
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -15.509
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -5.525
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: 4, replica: 2
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -113.642185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.642185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.642185 (E_RNA)
where:
Base-Base interactions energy: -56.580
where: short stacking energy: -39.893
Base-Backbone interact. energy: -0.326
local terms energy: -56.735444
where:
bonds (distance) C4'-P energy: -12.393
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -7.636
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: 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: -129.886279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.886279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.886279 (E_RNA)
where:
Base-Base interactions energy: -74.047
where: short stacking energy: -46.396
Base-Backbone interact. energy: -1.731
local terms energy: -54.108544
where:
bonds (distance) C4'-P energy: -8.216
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -11.980
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -101.439962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.439962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.439962 (E_RNA)
where:
Base-Base interactions energy: -47.207
where: short stacking energy: -35.332
Base-Backbone interact. energy: -0.038
local terms energy: -54.194564
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -0.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -97.282519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.282519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.282519 (E_RNA)
where:
Base-Base interactions energy: -45.650
where: short stacking energy: -45.797
Base-Backbone interact. energy: -0.748
local terms energy: -50.884525
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -9.172
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -6.795
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: 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: -200.758103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.758103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.758103 (E_RNA)
where:
Base-Base interactions energy: -129.566
where: short stacking energy: -61.153
Base-Backbone interact. energy: -0.938
local terms energy: -70.253675
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -16.475
flat angles P-C4'-P energy: -10.272
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: 2, replica: 4
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -175.891155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.891155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.891155 (E_RNA)
where:
Base-Base interactions energy: -106.349
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.064
local terms energy: -69.478054
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -14.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -144.786395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.786395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.786395 (E_RNA)
where:
Base-Base interactions energy: -93.328
where: short stacking energy: -44.459
Base-Backbone interact. energy: -1.977
local terms energy: -49.480703
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -4.538
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: 4, replica: 10
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -122.952121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.952121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.952121 (E_RNA)
where:
Base-Base interactions energy: -69.389
where: short stacking energy: -36.292
Base-Backbone interact. energy: -0.057
local terms energy: -53.505989
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -6.375
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: 5, replica: 2
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -112.540352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.540352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.540352 (E_RNA)
where:
Base-Base interactions energy: -49.066
where: short stacking energy: -35.940
Base-Backbone interact. energy: -1.182
local terms energy: -62.292393
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -7.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -111.188035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.188035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.188035 (E_RNA)
where:
Base-Base interactions energy: -54.540
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.066
local terms energy: -56.581708
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.693
tors. eta vs tors. theta energy: -3.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -87.554058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.554058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.554058 (E_RNA)
where:
Base-Base interactions energy: -39.793
where: short stacking energy: -36.765
Base-Backbone interact. energy: -0.050
local terms energy: -47.711055
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -5.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -80.225660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.225660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.225660 (E_RNA)
where:
Base-Base interactions energy: -22.318
where: short stacking energy: -22.297
Base-Backbone interact. energy: -0.057
local terms energy: -57.850614
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.229
flat angles P-C4'-P energy: -12.767
tors. eta vs tors. theta energy: -1.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 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: -198.343078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.343078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.343078 (E_RNA)
where:
Base-Base interactions energy: -125.813
where: short stacking energy: -52.058
Base-Backbone interact. energy: -0.398
local terms energy: -72.132607
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -188.691334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.691334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.691334 (E_RNA)
where:
Base-Base interactions energy: -121.760
where: short stacking energy: -56.567
Base-Backbone interact. energy: -0.601
local terms energy: -66.330001
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -4.638
tors. eta vs tors. theta energy: -15.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -151.954349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.954349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.954349 (E_RNA)
where:
Base-Base interactions energy: -96.608
where: short stacking energy: -44.017
Base-Backbone interact. energy: 0.027
local terms energy: -55.372798
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -6.321
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -10.754
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: 1
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -142.180167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.180167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.180167 (E_RNA)
where:
Base-Base interactions energy: -76.456
where: short stacking energy: -50.353
Base-Backbone interact. energy: -0.794
local terms energy: -64.930437
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -129.280783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.280783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.280783 (E_RNA)
where:
Base-Base interactions energy: -78.533
where: short stacking energy: -38.701
Base-Backbone interact. energy: 0.220
local terms energy: -50.967769
where:
bonds (distance) C4'-P energy: -10.593
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -0.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -94.950368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.950368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.950368 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -43.748
Base-Backbone interact. energy: -0.001
local terms energy: -50.568054
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -3.391
tors. eta vs tors. theta energy: -4.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -106.311253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.311253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.311253 (E_RNA)
where:
Base-Base interactions energy: -43.572
where: short stacking energy: -42.915
Base-Backbone interact. energy: -0.057
local terms energy: -62.682295
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -9.044
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 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: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -110.255595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.255595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.255595 (E_RNA)
where:
Base-Base interactions energy: -63.705
where: short stacking energy: -35.554
Base-Backbone interact. energy: -0.019
local terms energy: -46.531470
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -206.263854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.263854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.263854 (E_RNA)
where:
Base-Base interactions energy: -138.982
where: short stacking energy: -59.472
Base-Backbone interact. energy: -1.226
local terms energy: -66.055286
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.846
tors. eta vs tors. theta energy: -12.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -177.459738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.459738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.459738 (E_RNA)
where:
Base-Base interactions energy: -111.706
where: short stacking energy: -50.418
Base-Backbone interact. energy: -0.139
local terms energy: -65.615139
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -14.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -215.881233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.881233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.881233 (E_RNA)
where:
Base-Base interactions energy: -138.040
where: short stacking energy: -58.674
Base-Backbone interact. energy: -0.573
local terms energy: -77.268024
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -16.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -143.818292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.818292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.818292 (E_RNA)
where:
Base-Base interactions energy: -78.741
where: short stacking energy: -43.574
Base-Backbone interact. energy: -0.253
local terms energy: -64.824150
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -9.747
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -153.370727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.370727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.370727 (E_RNA)
where:
Base-Base interactions energy: -93.177
where: short stacking energy: -47.338
Base-Backbone interact. energy: -0.880
local terms energy: -59.314596
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -7.071
tors. eta vs tors. theta energy: -7.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -100.457649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.457649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.457649 (E_RNA)
where:
Base-Base interactions energy: -43.179
where: short stacking energy: -23.279
Base-Backbone interact. energy: -0.316
local terms energy: -56.961986
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -9.913
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: 0.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -84.432246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.432246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.432246 (E_RNA)
where:
Base-Base interactions energy: -20.934
where: short stacking energy: -20.934
Base-Backbone interact. energy: -0.041
local terms energy: -63.456754
where:
bonds (distance) C4'-P energy: -17.046
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -3.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -108.967580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.967580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.967580 (E_RNA)
where:
Base-Base interactions energy: -57.013
where: short stacking energy: -34.973
Base-Backbone interact. energy: 0.417
local terms energy: -52.370771
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -5.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -191.361153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.361153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.361153 (E_RNA)
where:
Base-Base interactions energy: -119.448
where: short stacking energy: -51.859
Base-Backbone interact. energy: -0.216
local terms energy: -71.697808
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -192.006097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.006097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.006097 (E_RNA)
where:
Base-Base interactions energy: -125.411
where: short stacking energy: -47.480
Base-Backbone interact. energy: -0.914
local terms energy: -65.680446
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -207.022706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.022706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.022706 (E_RNA)
where:
Base-Base interactions energy: -140.720
where: short stacking energy: -56.864
Base-Backbone interact. energy: -0.429
local terms energy: -65.873728
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -9.797
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: 4, replica: 3
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -137.493623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.493623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.493623 (E_RNA)
where:
Base-Base interactions energy: -75.301
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.163
local terms energy: -62.029906
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -10.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -168.607406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.607406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.607406 (E_RNA)
where:
Base-Base interactions energy: -114.354
where: short stacking energy: -41.986
Base-Backbone interact. energy: -0.223
local terms energy: -54.030499
where:
bonds (distance) C4'-P energy: -11.833
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -6.121
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: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -145.350112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.350112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.350112 (E_RNA)
where:
Base-Base interactions energy: -90.206
where: short stacking energy: -48.788
Base-Backbone interact. energy: -0.000
local terms energy: -55.143492
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -2.397
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 2
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -92.596109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.596109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.596109 (E_RNA)
where:
Base-Base interactions energy: -39.623
where: short stacking energy: -39.623
Base-Backbone interact. energy: -0.066
local terms energy: -52.907114
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -9.401
flat angles P-C4'-P energy: -8.065
tors. eta vs tors. theta energy: -6.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -79.823637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.823637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.823637 (E_RNA)
where:
Base-Base interactions energy: -31.289
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.134
local terms energy: -48.400498
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -2.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -82.103268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103268 (E_RNA)
where:
Base-Base interactions energy: -38.453
where: short stacking energy: -27.686
Base-Backbone interact. energy: -0.193
local terms energy: -43.457042
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -10.584
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -10.230
tors. eta vs tors. theta energy: -0.516
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: 10
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -213.295336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.295336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.295336 (E_RNA)
where:
Base-Base interactions energy: -142.703
where: short stacking energy: -59.787
Base-Backbone interact. energy: -1.434
local terms energy: -69.158579
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -13.983
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: -15.397
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: 4
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -211.982867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.982867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.982867 (E_RNA)
where:
Base-Base interactions energy: -149.141
where: short stacking energy: -60.421
Base-Backbone interact. energy: -0.136
local terms energy: -62.706684
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -9.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -177.354603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.354603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.354603 (E_RNA)
where:
Base-Base interactions energy: -106.446
where: short stacking energy: -59.288
Base-Backbone interact. energy: 0.409
local terms energy: -71.317850
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -190.386103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386103 (E_RNA)
where:
Base-Base interactions energy: -125.199
where: short stacking energy: -61.880
Base-Backbone interact. energy: -0.169
local terms energy: -65.017515
where:
bonds (distance) C4'-P energy: -11.624
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -7.741
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: 5, replica: 3
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -111.371631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.371631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.371631 (E_RNA)
where:
Base-Base interactions energy: -62.131
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.084
local terms energy: -49.157056
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -6.110
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: 13
Temperature: 1.150000
Total energy: -170.493883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.493883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.493883 (E_RNA)
where:
Base-Base interactions energy: -108.897
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.003
local terms energy: -61.594340
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -10.199
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 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: 6
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -99.659734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.659734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.659734 (E_RNA)
where:
Base-Base interactions energy: -46.708
where: short stacking energy: -37.927
Base-Backbone interact. energy: 0.467
local terms energy: -53.418772
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -12.448
flat angles C4'-P-C4' energy: -11.656
flat angles P-C4'-P energy: -9.324
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: 9, replica: 2
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -81.231275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.231275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.231275 (E_RNA)
where:
Base-Base interactions energy: -30.699
where: short stacking energy: -22.584
Base-Backbone interact. energy: -0.147
local terms energy: -50.385258
where:
bonds (distance) C4'-P energy: -15.701
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -7.667
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -3.512
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: 8
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -86.156487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.156487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.156487 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -19.890
Base-Backbone interact. energy: -0.261
local terms energy: -52.126164
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 2.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -221.155195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.155195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.155195 (E_RNA)
where:
Base-Base interactions energy: -149.878
where: short stacking energy: -67.667
Base-Backbone interact. energy: -0.479
local terms energy: -70.798984
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -209.563246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.563246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.563246 (E_RNA)
where:
Base-Base interactions energy: -138.042
where: short stacking energy: -53.902
Base-Backbone interact. energy: -0.210
local terms energy: -71.311309
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -7.864
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -196.441703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.441703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.441703 (E_RNA)
where:
Base-Base interactions energy: -129.535
where: short stacking energy: -49.066
Base-Backbone interact. energy: -0.358
local terms energy: -66.548445
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -17.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -163.225995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.225995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.225995 (E_RNA)
where:
Base-Base interactions energy: -95.192
where: short stacking energy: -52.291
Base-Backbone interact. energy: 0.167
local terms energy: -68.201093
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -7.071
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: 5, replica: 1
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -190.071052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.071052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.071052 (E_RNA)
where:
Base-Base interactions energy: -123.841
where: short stacking energy: -58.495
Base-Backbone interact. energy: -0.515
local terms energy: -65.714649
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -12.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -115.876119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.876119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.876119 (E_RNA)
where:
Base-Base interactions energy: -67.206
where: short stacking energy: -44.732
Base-Backbone interact. energy: -0.150
local terms energy: -48.520479
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -7.735
tors. eta vs tors. theta energy: -5.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -85.915248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.915248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.915248 (E_RNA)
where:
Base-Base interactions energy: -34.597
where: short stacking energy: -33.004
Base-Backbone interact. energy: -0.086
local terms energy: -51.232502
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -11.468
flat angles P-C4'-P energy: -7.513
tors. eta vs tors. theta energy: -2.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -88.191339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.191339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.191339 (E_RNA)
where:
Base-Base interactions energy: -43.301
where: short stacking energy: -35.104
Base-Backbone interact. energy: -0.457
local terms energy: -44.433344
where:
bonds (distance) C4'-P energy: -9.076
bonds (distance) P-C4' energy: -10.238
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -6.987
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: 2
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -78.594177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.594177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.594177 (E_RNA)
where:
Base-Base interactions energy: -29.531
where: short stacking energy: -26.797
Base-Backbone interact. energy: -0.077
local terms energy: -48.986700
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -8.571
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -5.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -80.864241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.864241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.864241 (E_RNA)
where:
Base-Base interactions energy: -34.708
where: short stacking energy: -25.240
Base-Backbone interact. energy: -0.594
local terms energy: -45.561800
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -2.723
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -222.503677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.503677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.503677 (E_RNA)
where:
Base-Base interactions energy: -148.913
where: short stacking energy: -69.901
Base-Backbone interact. energy: -0.846
local terms energy: -72.744323
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -13.934
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -16.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -207.137302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.137302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.137302 (E_RNA)
where:
Base-Base interactions energy: -132.946
where: short stacking energy: -53.124
Base-Backbone interact. energy: -0.103
local terms energy: -74.088361
where:
bonds (distance) C4'-P energy: -14.864
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -16.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -186.234785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.234785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.234785 (E_RNA)
where:
Base-Base interactions energy: -123.625
where: short stacking energy: -57.979
Base-Backbone interact. energy: -0.162
local terms energy: -62.447602
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -15.386
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -11.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -197.300516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.300516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.300516 (E_RNA)
where:
Base-Base interactions energy: -126.420
where: short stacking energy: -65.671
Base-Backbone interact. energy: -0.002
local terms energy: -70.878914
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.200
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: 5
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -148.820326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.820326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.820326 (E_RNA)
where:
Base-Base interactions energy: -90.776
where: short stacking energy: -50.777
Base-Backbone interact. energy: -0.203
local terms energy: -57.841242
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -3.874
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -106.210237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.210237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.210237 (E_RNA)
where:
Base-Base interactions energy: -54.055
where: short stacking energy: -40.035
Base-Backbone interact. energy: -0.076
local terms energy: -52.078887
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -10.780
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: 7, replica: 6
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -91.701204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.701204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.701204 (E_RNA)
where:
Base-Base interactions energy: -40.511
where: short stacking energy: -40.511
Base-Backbone interact. energy: -0.074
local terms energy: -51.116436
where:
bonds (distance) C4'-P energy: -9.855
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -79.778935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.778935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.778935 (E_RNA)
where:
Base-Base interactions energy: -34.332
where: short stacking energy: -30.207
Base-Backbone interact. energy: 2.163
local terms energy: -47.610618
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -4.618
tors. eta vs tors. theta energy: -3.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -92.044161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044161 (E_RNA)
where:
Base-Base interactions energy: -47.575
where: short stacking energy: -39.205
Base-Backbone interact. energy: -0.407
local terms energy: -44.062590
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -8.166
flat angles P-C4'-P energy: -3.753
tors. eta vs tors. theta energy: -6.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -69.061641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.061641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.061641 (E_RNA)
where:
Base-Base interactions energy: -27.927
where: short stacking energy: -27.927
Base-Backbone interact. energy: -0.063
local terms energy: -41.071610
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -9.729
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -232.906809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.906809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.906809 (E_RNA)
where:
Base-Base interactions energy: -159.523
where: short stacking energy: -67.610
Base-Backbone interact. energy: -0.003
local terms energy: -73.381587
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.496
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -13.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -200.909276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.909276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.909276 (E_RNA)
where:
Base-Base interactions energy: -140.474
where: short stacking energy: -60.118
Base-Backbone interact. energy: 0.402
local terms energy: -60.837029
where:
bonds (distance) C4'-P energy: -11.201
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -13.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -196.370519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.370519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.370519 (E_RNA)
where:
Base-Base interactions energy: -126.627
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.006
local terms energy: -69.737502
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -14.370
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -6.235
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -192.760725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.760725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.760725 (E_RNA)
where:
Base-Base interactions energy: -121.084
where: short stacking energy: -56.751
Base-Backbone interact. energy: -0.280
local terms energy: -71.397315
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.084
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -128.820514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.820514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.820514 (E_RNA)
where:
Base-Base interactions energy: -64.371
where: short stacking energy: -51.679
Base-Backbone interact. energy: -0.027
local terms energy: -64.422795
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -11.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -138.000715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.000715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.000715 (E_RNA)
where:
Base-Base interactions energy: -81.535
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.189
local terms energy: -56.276681
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -5.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -97.779142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.779142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.779142 (E_RNA)
where:
Base-Base interactions energy: -44.592
where: short stacking energy: -44.345
Base-Backbone interact. energy: -0.003
local terms energy: -53.184714
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -12.575
flat angles C4'-P-C4' energy: -15.372
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -96.971874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.971874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.971874 (E_RNA)
where:
Base-Base interactions energy: -46.559
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.152
local terms energy: -50.261024
where:
bonds (distance) C4'-P energy: -9.921
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -7.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -75.869942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.869942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.869942 (E_RNA)
where:
Base-Base interactions energy: -25.986
where: short stacking energy: -22.206
Base-Backbone interact. energy: 0.585
local terms energy: -50.469759
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -10.930
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -77.409385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.409385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.409385 (E_RNA)
where:
Base-Base interactions energy: -23.632
where: short stacking energy: -23.011
Base-Backbone interact. energy: -1.911
local terms energy: -51.866541
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -9.331
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -4.557
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: 4
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -228.547215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.547215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.547215 (E_RNA)
where:
Base-Base interactions energy: -155.282
where: short stacking energy: -65.401
Base-Backbone interact. energy: -0.132
local terms energy: -73.133897
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -204.271569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.271569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.271569 (E_RNA)
where:
Base-Base interactions energy: -126.970
where: short stacking energy: -66.528
Base-Backbone interact. energy: -0.001
local terms energy: -77.300728
where:
bonds (distance) C4'-P energy: -14.931
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.966
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: 3, replica: 10
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -194.170921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.170921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.170921 (E_RNA)
where:
Base-Base interactions energy: -128.541
where: short stacking energy: -53.586
Base-Backbone interact. energy: -0.180
local terms energy: -65.450047
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -9.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -191.946409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.946409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.946409 (E_RNA)
where:
Base-Base interactions energy: -122.001
where: short stacking energy: -65.013
Base-Backbone interact. energy: 1.037
local terms energy: -70.982211
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -173.886002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.886002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.886002 (E_RNA)
where:
Base-Base interactions energy: -108.106
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.068
local terms energy: -65.712165
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -13.637
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -13.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -139.057135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.057135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.057135 (E_RNA)
where:
Base-Base interactions energy: -76.670
where: short stacking energy: -32.384
Base-Backbone interact. energy: 0.124
local terms energy: -62.511664
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -6.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -92.287831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.287831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.287831 (E_RNA)
where:
Base-Base interactions energy: -36.215
where: short stacking energy: -28.199
Base-Backbone interact. energy: -0.519
local terms energy: -55.554085
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -12.323
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -88.196656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196656 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -19.017
Base-Backbone interact. energy: -1.711
local terms energy: -48.931996
where:
bonds (distance) C4'-P energy: -5.267
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -12.510
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: 9, replica: 6
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -88.911306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.911306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.911306 (E_RNA)
where:
Base-Base interactions energy: -41.510
where: short stacking energy: -28.424
Base-Backbone interact. energy: 0.129
local terms energy: -47.530579
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -11.418
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -10.799
tors. eta vs tors. theta energy: 0.152
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: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -88.922789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.922789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.922789 (E_RNA)
where:
Base-Base interactions energy: -36.252
where: short stacking energy: -31.276
Base-Backbone interact. energy: -0.168
local terms energy: -52.502741
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -13.480
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -208.253681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.253681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.253681 (E_RNA)
where:
Base-Base interactions energy: -132.642
where: short stacking energy: -68.693
Base-Backbone interact. energy: -0.002
local terms energy: -75.609426
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -7.463
tors. eta vs tors. theta energy: -17.163
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: 4
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -216.546439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.546439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.546439 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -70.580
Base-Backbone interact. energy: 2.353
local terms energy: -65.800446
where:
bonds (distance) C4'-P energy: -9.864
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -15.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -195.387296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.387296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.387296 (E_RNA)
where:
Base-Base interactions energy: -121.612
where: short stacking energy: -62.829
Base-Backbone interact. energy: -0.001
local terms energy: -73.774840
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -16.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -193.655293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655293 (E_RNA)
where:
Base-Base interactions energy: -129.530
where: short stacking energy: -54.438
Base-Backbone interact. energy: -0.740
local terms energy: -63.384947
where:
bonds (distance) C4'-P energy: -9.724
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -15.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -197.827419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.827419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.827419 (E_RNA)
where:
Base-Base interactions energy: -131.526
where: short stacking energy: -63.523
Base-Backbone interact. energy: -0.341
local terms energy: -65.960503
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -9.413
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: 6, replica: 5
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -151.211937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.211937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.211937 (E_RNA)
where:
Base-Base interactions energy: -85.175
where: short stacking energy: -52.416
Base-Backbone interact. energy: -0.022
local terms energy: -66.015515
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -9.392
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: 7, replica: 8
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -103.893871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.893871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.893871 (E_RNA)
where:
Base-Base interactions energy: -52.333
where: short stacking energy: -39.922
Base-Backbone interact. energy: -0.151
local terms energy: -51.409300
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -5.048
flat angles P-C4'-P energy: -9.515
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: 8, replica: 2
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -83.374967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374967 (E_RNA)
where:
Base-Base interactions energy: -36.314
where: short stacking energy: -20.123
Base-Backbone interact. energy: -0.243
local terms energy: -46.818123
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: 3.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -83.339466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.339466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.339466 (E_RNA)
where:
Base-Base interactions energy: -35.757
where: short stacking energy: -35.757
Base-Backbone interact. energy: 1.011
local terms energy: -48.593418
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -12.537
flat angles P-C4'-P energy: -4.438
tors. eta vs tors. theta energy: -5.824
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: 10, replica: 9
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -85.155055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.155055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.155055 (E_RNA)
where:
Base-Base interactions energy: -37.369
where: short stacking energy: -12.508
Base-Backbone interact. energy: -0.345
local terms energy: -47.441818
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -203.203293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.203293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.203293 (E_RNA)
where:
Base-Base interactions energy: -132.181
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.263
local terms energy: -70.758356
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -13.594
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -19.578
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: 7
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -200.773927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.773927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.773927 (E_RNA)
where:
Base-Base interactions energy: -132.245
where: short stacking energy: -71.774
Base-Backbone interact. energy: 0.765
local terms energy: -69.293296
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.761
flat angles C4'-P-C4' energy: -14.136
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -17.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -216.924514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.924514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.924514 (E_RNA)
where:
Base-Base interactions energy: -148.261
where: short stacking energy: -58.065
Base-Backbone interact. energy: -0.243
local terms energy: -68.419714
where:
bonds (distance) C4'-P energy: -14.521
bonds (distance) P-C4' energy: -13.021
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: -14.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -191.357755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.357755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.357755 (E_RNA)
where:
Base-Base interactions energy: -124.364
where: short stacking energy: -46.494
Base-Backbone interact. energy: -0.311
local terms energy: -66.682370
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.503
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: 5, replica: 10
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -189.415632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.415632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.415632 (E_RNA)
where:
Base-Base interactions energy: -119.572
where: short stacking energy: -61.564
Base-Backbone interact. energy: -0.334
local terms energy: -69.510254
where:
bonds (distance) C4'-P energy: -10.742
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -13.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -137.946047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.946047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.946047 (E_RNA)
where:
Base-Base interactions energy: -75.964
where: short stacking energy: -51.090
Base-Backbone interact. energy: -0.176
local terms energy: -61.805913
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.092
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -8.722
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: 8
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -96.721023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.721023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.721023 (E_RNA)
where:
Base-Base interactions energy: -39.056
where: short stacking energy: -39.056
Base-Backbone interact. energy: -0.173
local terms energy: -57.492231
where:
bonds (distance) C4'-P energy: -8.972
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -10.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -81.813785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.813785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.813785 (E_RNA)
where:
Base-Base interactions energy: -28.873
where: short stacking energy: -25.660
Base-Backbone interact. energy: -0.177
local terms energy: -52.763321
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: 0.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -79.698567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.698567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.698567 (E_RNA)
where:
Base-Base interactions energy: -26.278
where: short stacking energy: -26.278
Base-Backbone interact. energy: -0.116
local terms energy: -53.304951
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -5.057
tors. eta vs tors. theta energy: -4.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -95.513914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513914 (E_RNA)
where:
Base-Base interactions energy: -45.936
where: short stacking energy: -32.306
Base-Backbone interact. energy: -0.078
local terms energy: -49.499987
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -10.064
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: 20
Temperature: 0.900000
Total energy: -207.952454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.952454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.952454 (E_RNA)
where:
Base-Base interactions energy: -137.399
where: short stacking energy: -62.828
Base-Backbone interact. energy: -0.105
local terms energy: -70.448338
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -15.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -196.635498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.635498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.635498 (E_RNA)
where:
Base-Base interactions energy: -127.112
where: short stacking energy: -58.022
Base-Backbone interact. energy: -0.019
local terms energy: -69.503919
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -10.043
tors. eta vs tors. theta energy: -11.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -215.575323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.575323 (E_RNA)
where:
Base-Base interactions energy: -142.494
where: short stacking energy: -59.654
Base-Backbone interact. energy: -0.130
local terms energy: -72.951107
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -188.693153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.693153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.693153 (E_RNA)
where:
Base-Base interactions energy: -116.440
where: short stacking energy: -54.216
Base-Backbone interact. energy: 0.653
local terms energy: -72.905794
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -12.847
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: 10
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -194.482433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.482433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.482433 (E_RNA)
where:
Base-Base interactions energy: -127.105
where: short stacking energy: -57.765
Base-Backbone interact. energy: -0.209
local terms energy: -67.168343
where:
bonds (distance) C4'-P energy: -12.500
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -154.826236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.826236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.826236 (E_RNA)
where:
Base-Base interactions energy: -105.298
where: short stacking energy: -40.349
Base-Backbone interact. energy: -0.537
local terms energy: -48.991559
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -10.075
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -1.536
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: 6
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -103.337946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.337946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.337946 (E_RNA)
where:
Base-Base interactions energy: -46.894
where: short stacking energy: -43.602
Base-Backbone interact. energy: -0.126
local terms energy: -56.317201
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -6.812
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -11.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -91.346804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346804 (E_RNA)
where:
Base-Base interactions energy: -43.681
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.195
local terms energy: -47.470893
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -9.750
flat angles C4'-P-C4' energy: -11.366
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -3.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -75.367650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.367650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.367650 (E_RNA)
where:
Base-Base interactions energy: -26.834
where: short stacking energy: -25.094
Base-Backbone interact. energy: -0.034
local terms energy: -48.500499
where:
bonds (distance) C4'-P energy: -14.543
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -11.437
flat angles P-C4'-P energy: -6.249
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: 20
Temperature: 1.350000
Total energy: -74.710755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.710755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.710755 (E_RNA)
where:
Base-Base interactions energy: -29.352
where: short stacking energy: -23.383
Base-Backbone interact. energy: -0.013
local terms energy: -45.345445
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -7.386
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -4.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -204.763990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.763990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.763990 (E_RNA)
where:
Base-Base interactions energy: -130.858
where: short stacking energy: -70.906
Base-Backbone interact. energy: -0.005
local terms energy: -73.900765
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -225.354614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.354614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.354614 (E_RNA)
where:
Base-Base interactions energy: -160.642
where: short stacking energy: -70.916
Base-Backbone interact. energy: 0.150
local terms energy: -64.862958
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -16.239
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -15.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -196.481363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.481363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.481363 (E_RNA)
where:
Base-Base interactions energy: -132.930
where: short stacking energy: -61.365
Base-Backbone interact. energy: 1.403
local terms energy: -64.954236
where:
bonds (distance) C4'-P energy: -12.496
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -11.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -206.989239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.989239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.989239 (E_RNA)
where:
Base-Base interactions energy: -134.980
where: short stacking energy: -68.355
Base-Backbone interact. energy: -0.886
local terms energy: -71.123307
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -17.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -178.535349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.535349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.535349 (E_RNA)
where:
Base-Base interactions energy: -111.782
where: short stacking energy: -50.366
Base-Backbone interact. energy: -0.019
local terms energy: -66.734986
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -5.147
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -149.061522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.061522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.061522 (E_RNA)
where:
Base-Base interactions energy: -95.462
where: short stacking energy: -40.714
Base-Backbone interact. energy: -1.047
local terms energy: -52.552707
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -13.943
flat angles C4'-P-C4' energy: -13.303
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -2.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -96.845893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.845893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.845893 (E_RNA)
where:
Base-Base interactions energy: -42.199
where: short stacking energy: -40.369
Base-Backbone interact. energy: -0.723
local terms energy: -53.924053
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -6.457
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: 8, replica: 2
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -85.405248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.405248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.405248 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -34.841
Base-Backbone interact. energy: -0.795
local terms energy: -39.660945
where:
bonds (distance) C4'-P energy: -9.507
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -6.915
tors. eta vs tors. theta energy: -3.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -82.074531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.074531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.074531 (E_RNA)
where:
Base-Base interactions energy: -36.879
where: short stacking energy: -17.438
Base-Backbone interact. energy: 1.112
local terms energy: -46.307270
where:
bonds (distance) C4'-P energy: -7.920
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -0.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -76.385206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.385206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.385206 (E_RNA)
where:
Base-Base interactions energy: -26.401
where: short stacking energy: -23.318
Base-Backbone interact. energy: -0.212
local terms energy: -49.773060
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -11.883
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -7.068
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: 4
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -226.183680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.183680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.183680 (E_RNA)
where:
Base-Base interactions energy: -158.306
where: short stacking energy: -64.322
Base-Backbone interact. energy: 0.809
local terms energy: -68.687219
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.548
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -204.455091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.455091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.455091 (E_RNA)
where:
Base-Base interactions energy: -131.312
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.035
local terms energy: -73.108488
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -204.344732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.344732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.344732 (E_RNA)
where:
Base-Base interactions energy: -133.792
where: short stacking energy: -63.834
Base-Backbone interact. energy: -0.283
local terms energy: -70.270200
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -15.344
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -199.553012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.553012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.553012 (E_RNA)
where:
Base-Base interactions energy: -131.266
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.415
local terms energy: -67.871849
where:
bonds (distance) C4'-P energy: -13.464
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -175.566464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.566464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.566464 (E_RNA)
where:
Base-Base interactions energy: -112.496
where: short stacking energy: -53.668
Base-Backbone interact. energy: -0.026
local terms energy: -63.044452
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -12.795
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: -11.425
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: 6, replica: 5
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -150.842724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.842724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.842724 (E_RNA)
where:
Base-Base interactions energy: -91.601
where: short stacking energy: -39.613
Base-Backbone interact. energy: -0.164
local terms energy: -59.078119
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -9.640
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -7.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -82.945157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.945157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.945157 (E_RNA)
where:
Base-Base interactions energy: -26.424
where: short stacking energy: -23.128
Base-Backbone interact. energy: -0.005
local terms energy: -56.515521
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -14.440
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -7.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -91.939154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.939154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.939154 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -32.709
Base-Backbone interact. energy: -0.022
local terms energy: -59.208522
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -13.105
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -3.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -102.419713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.419713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.419713 (E_RNA)
where:
Base-Base interactions energy: -48.007
where: short stacking energy: -34.509
Base-Backbone interact. energy: -0.047
local terms energy: -54.364774
where:
bonds (distance) C4'-P energy: -11.734
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -3.220
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -88.509044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509044 (E_RNA)
where:
Base-Base interactions energy: -32.685
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.059
local terms energy: -55.765180
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -3.039
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: 23
Temperature: 0.900000
Total energy: -231.031089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.031089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.031089 (E_RNA)
where:
Base-Base interactions energy: -156.616
where: short stacking energy: -67.894
Base-Backbone interact. energy: -0.461
local terms energy: -73.953289
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -15.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -218.112666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.112666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.112666 (E_RNA)
where:
Base-Base interactions energy: -149.069
where: short stacking energy: -72.671
Base-Backbone interact. energy: -0.796
local terms energy: -68.247650
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -7.163
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: 23
Temperature: 1.000000
Total energy: -199.747919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.747919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.747919 (E_RNA)
where:
Base-Base interactions energy: -127.620
where: short stacking energy: -66.423
Base-Backbone interact. energy: -0.005
local terms energy: -72.122692
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -181.466038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466038 (E_RNA)
where:
Base-Base interactions energy: -114.297
where: short stacking energy: -55.259
Base-Backbone interact. energy: -0.102
local terms energy: -67.066929
where:
bonds (distance) C4'-P energy: -14.115
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -10.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -183.335327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.335327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.335327 (E_RNA)
where:
Base-Base interactions energy: -113.802
where: short stacking energy: -57.828
Base-Backbone interact. energy: -0.076
local terms energy: -69.457385
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -15.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -144.792729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.792729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.792729 (E_RNA)
where:
Base-Base interactions energy: -81.136
where: short stacking energy: -41.138
Base-Backbone interact. energy: -0.011
local terms energy: -63.645670
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -5.911
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: 2
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -123.425699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.425699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.425699 (E_RNA)
where:
Base-Base interactions energy: -66.810
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.536
local terms energy: -56.079233
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -12.968
flat angles P-C4'-P energy: -6.125
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: 8, replica: 9
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -96.115908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.115908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.115908 (E_RNA)
where:
Base-Base interactions energy: -44.807
where: short stacking energy: -36.755
Base-Backbone interact. energy: -0.047
local terms energy: -51.262612
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -5.385
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: 0.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -93.795526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795526 (E_RNA)
where:
Base-Base interactions energy: -40.112
where: short stacking energy: -40.112
Base-Backbone interact. energy: -0.052
local terms energy: -53.631946
where:
bonds (distance) C4'-P energy: -8.890
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -9.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -94.205381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.205381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.205381 (E_RNA)
where:
Base-Base interactions energy: -51.065
where: short stacking energy: -18.685
Base-Backbone interact. energy: -0.397
local terms energy: -42.743433
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -8.201
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: 10
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -224.751795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.751795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.751795 (E_RNA)
where:
Base-Base interactions energy: -149.341
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.924
local terms energy: -74.487084
where:
bonds (distance) C4'-P energy: -16.276
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -13.283
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -230.064185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.064185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.064185 (E_RNA)
where:
Base-Base interactions energy: -164.866
where: short stacking energy: -71.977
Base-Backbone interact. energy: -0.363
local terms energy: -64.835941
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -15.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -190.337327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.337327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.337327 (E_RNA)
where:
Base-Base interactions energy: -120.816
where: short stacking energy: -56.900
Base-Backbone interact. energy: -0.240
local terms energy: -69.281326
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.001
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -198.310813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.310813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.310813 (E_RNA)
where:
Base-Base interactions energy: -128.857
where: short stacking energy: -58.274
Base-Backbone interact. energy: -0.211
local terms energy: -69.242374
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.259
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -19.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -173.209180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.209180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.209180 (E_RNA)
where:
Base-Base interactions energy: -114.707
where: short stacking energy: -47.552
Base-Backbone interact. energy: -0.207
local terms energy: -58.294615
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -6.910
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: 6, replica: 5
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -140.826102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.826102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.826102 (E_RNA)
where:
Base-Base interactions energy: -84.277
where: short stacking energy: -43.214
Base-Backbone interact. energy: -0.332
local terms energy: -56.216726
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -6.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -118.643537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.643537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.643537 (E_RNA)
where:
Base-Base interactions energy: -71.731
where: short stacking energy: -28.949
Base-Backbone interact. energy: -0.222
local terms energy: -46.690100
where:
bonds (distance) C4'-P energy: -12.874
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -0.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -92.522257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.522257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.522257 (E_RNA)
where:
Base-Base interactions energy: -34.455
where: short stacking energy: -20.999
Base-Backbone interact. energy: 0.252
local terms energy: -58.319335
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -7.571
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -9.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -87.808764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.808764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.808764 (E_RNA)
where:
Base-Base interactions energy: -43.606
where: short stacking energy: -32.583
Base-Backbone interact. energy: 1.233
local terms energy: -45.436248
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -5.960
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -6.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -75.104429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.104429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.104429 (E_RNA)
where:
Base-Base interactions energy: -26.540
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.071
local terms energy: -48.493865
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -8.876
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: 10
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -224.628505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.628505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.628505 (E_RNA)
where:
Base-Base interactions energy: -141.957
where: short stacking energy: -61.093
Base-Backbone interact. energy: -0.514
local terms energy: -82.157710
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -18.877
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -225.133388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.133388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.133388 (E_RNA)
where:
Base-Base interactions energy: -152.890
where: short stacking energy: -68.049
Base-Backbone interact. energy: 0.255
local terms energy: -72.498518
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -202.956220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.956220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.956220 (E_RNA)
where:
Base-Base interactions energy: -132.917
where: short stacking energy: -68.707
Base-Backbone interact. energy: -0.073
local terms energy: -69.966382
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -6.350
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: 4, replica: 7
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -192.425716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.425716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.425716 (E_RNA)
where:
Base-Base interactions energy: -117.116
where: short stacking energy: -64.767
Base-Backbone interact. energy: -0.012
local terms energy: -75.298000
where:
bonds (distance) C4'-P energy: -14.745
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -17.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -194.634127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.634127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.634127 (E_RNA)
where:
Base-Base interactions energy: -115.023
where: short stacking energy: -55.669
Base-Backbone interact. energy: -0.134
local terms energy: -79.477642
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -17.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -135.160281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.160281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.160281 (E_RNA)
where:
Base-Base interactions energy: -75.272
where: short stacking energy: -37.391
Base-Backbone interact. energy: -0.300
local terms energy: -59.587496
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -10.126
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -12.564
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: 2
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -96.625802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.625802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.625802 (E_RNA)
where:
Base-Base interactions energy: -39.022
where: short stacking energy: -29.148
Base-Backbone interact. energy: -0.135
local terms energy: -57.469113
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -9.829
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: 8, replica: 6
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -89.097963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.097963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.097963 (E_RNA)
where:
Base-Base interactions energy: -35.412
where: short stacking energy: -35.412
Base-Backbone interact. energy: -0.059
local terms energy: -53.626554
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -6.283
flat angles C4'-P-C4' energy: -16.011
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -93.485560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.485560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.485560 (E_RNA)
where:
Base-Base interactions energy: -37.624
where: short stacking energy: -37.624
Base-Backbone interact. energy: -0.037
local terms energy: -55.825206
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -6.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -72.959474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.959474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.959474 (E_RNA)
where:
Base-Base interactions energy: -28.904
where: short stacking energy: -24.847
Base-Backbone interact. energy: 0.771
local terms energy: -44.826067
where:
bonds (distance) C4'-P energy: -10.622
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -5.072
tors. eta vs tors. theta energy: 1.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -229.618695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.618695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.618695 (E_RNA)
where:
Base-Base interactions energy: -155.441
where: short stacking energy: -66.126
Base-Backbone interact. energy: -0.473
local terms energy: -73.704782
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -9.280
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: 2, replica: 10
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -211.049105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.049105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.049105 (E_RNA)
where:
Base-Base interactions energy: -138.368
where: short stacking energy: -70.585
Base-Backbone interact. energy: -0.377
local terms energy: -72.304851
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -17.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -209.033729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.033729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033729 (E_RNA)
where:
Base-Base interactions energy: -139.465
where: short stacking energy: -57.667
Base-Backbone interact. energy: -0.325
local terms energy: -69.243640
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -14.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -190.860765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.860765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.860765 (E_RNA)
where:
Base-Base interactions energy: -118.497
where: short stacking energy: -57.894
Base-Backbone interact. energy: -0.009
local terms energy: -72.355076
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -16.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -193.446337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.446337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.446337 (E_RNA)
where:
Base-Base interactions energy: -127.125
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.056
local terms energy: -66.265460
where:
bonds (distance) C4'-P energy: -8.277
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -17.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -141.533849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.533849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.533849 (E_RNA)
where:
Base-Base interactions energy: -85.526
where: short stacking energy: -44.794
Base-Backbone interact. energy: -0.643
local terms energy: -55.365113
where:
bonds (distance) C4'-P energy: -10.170
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -8.041
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: 2
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -119.132868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.132868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.132868 (E_RNA)
where:
Base-Base interactions energy: -67.539
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.161
local terms energy: -51.432499
where:
bonds (distance) C4'-P energy: -8.365
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -9.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -97.314604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314604 (E_RNA)
where:
Base-Base interactions energy: -48.428
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.133
local terms energy: -48.753283
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -4.990
tors. eta vs tors. theta energy: -1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -92.999473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.999473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.999473 (E_RNA)
where:
Base-Base interactions energy: -42.122
where: short stacking energy: -26.422
Base-Backbone interact. energy: -0.224
local terms energy: -50.654203
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -11.351
flat angles P-C4'-P energy: -10.343
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: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -79.373659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.373659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.373659 (E_RNA)
where:
Base-Base interactions energy: -24.928
where: short stacking energy: -24.928
Base-Backbone interact. energy: -0.189
local terms energy: -54.256725
where:
bonds (distance) C4'-P energy: -10.804
bonds (distance) P-C4' energy: -14.041
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -5.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -227.120738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.120738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.120738 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -65.573
Base-Backbone interact. energy: -0.326
local terms energy: -75.961551
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -11.457
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: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -216.229715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.229715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.229715 (E_RNA)
where:
Base-Base interactions energy: -148.125
where: short stacking energy: -65.698
Base-Backbone interact. energy: -1.431
local terms energy: -66.674150
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -9.821
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -17.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -208.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.012313 (E_RNA)
where:
Base-Base interactions energy: -136.378
where: short stacking energy: -54.599
Base-Backbone interact. energy: -0.861
local terms energy: -70.773825
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -17.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -195.113729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113729 (E_RNA)
where:
Base-Base interactions energy: -132.271
where: short stacking energy: -59.683
Base-Backbone interact. energy: 0.244
local terms energy: -63.086769
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -17.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -183.079556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.079556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.079556 (E_RNA)
where:
Base-Base interactions energy: -115.119
where: short stacking energy: -56.165
Base-Backbone interact. energy: -0.004
local terms energy: -67.956486
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -17.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -155.684057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.684057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.684057 (E_RNA)
where:
Base-Base interactions energy: -100.441
where: short stacking energy: -47.715
Base-Backbone interact. energy: -0.274
local terms energy: -54.969853
where:
bonds (distance) C4'-P energy: -11.280
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -8.183
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: 2
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -91.805049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.805049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.805049 (E_RNA)
where:
Base-Base interactions energy: -33.505
where: short stacking energy: -33.505
Base-Backbone interact. energy: -0.044
local terms energy: -58.255502
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -9.312
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.503526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.503526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.503526 (E_RNA)
where:
Base-Base interactions energy: -33.019
where: short stacking energy: -30.749
Base-Backbone interact. energy: -0.116
local terms energy: -59.368690
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -5.022
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: 8
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -83.664889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.664889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.664889 (E_RNA)
where:
Base-Base interactions energy: -35.324
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.169
local terms energy: -48.171536
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -10.152
flat angles C4'-P-C4' energy: -12.352
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: 1.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -81.903304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.903304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.903304 (E_RNA)
where:
Base-Base interactions energy: -32.381
where: short stacking energy: -32.381
Base-Backbone interact. energy: -0.053
local terms energy: -49.469553
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -9.489
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: 1, replica: 4
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -225.306002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.306002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.306002 (E_RNA)
where:
Base-Base interactions energy: -155.410
where: short stacking energy: -65.174
Base-Backbone interact. energy: 0.669
local terms energy: -70.565177
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -12.027
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -16.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -203.981808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.981808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.981808 (E_RNA)
where:
Base-Base interactions energy: -139.215
where: short stacking energy: -64.353
Base-Backbone interact. energy: -0.381
local terms energy: -64.385713
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.642
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -13.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -212.072826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.072826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.072826 (E_RNA)
where:
Base-Base interactions energy: -153.891
where: short stacking energy: -51.468
Base-Backbone interact. energy: -0.596
local terms energy: -57.585926
where:
bonds (distance) C4'-P energy: -9.325
bonds (distance) P-C4' energy: -17.303
flat angles C4'-P-C4' energy: -11.991
flat angles P-C4'-P energy: -9.467
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: 4, replica: 1
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -197.187230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.187230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.187230 (E_RNA)
where:
Base-Base interactions energy: -127.802
where: short stacking energy: -63.920
Base-Backbone interact. energy: -0.002
local terms energy: -69.383116
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -7.622
tors. eta vs tors. theta energy: -16.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -161.841754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.841754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.841754 (E_RNA)
where:
Base-Base interactions energy: -94.241
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.157
local terms energy: -67.443507
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -9.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -183.307952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.307952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.307952 (E_RNA)
where:
Base-Base interactions energy: -115.639
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.003
local terms energy: -67.665968
where:
bonds (distance) C4'-P energy: -12.177
bonds (distance) P-C4' energy: -11.148
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -16.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -103.037080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.037080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.037080 (E_RNA)
where:
Base-Base interactions energy: -49.692
where: short stacking energy: -34.838
Base-Backbone interact. energy: -0.348
local terms energy: -52.997088
where:
bonds (distance) C4'-P energy: -10.543
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -7.890
tors. eta vs tors. theta energy: -8.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -90.845510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.845510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.845510 (E_RNA)
where:
Base-Base interactions energy: -34.110
where: short stacking energy: -34.110
Base-Backbone interact. energy: -0.198
local terms energy: -56.537384
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -10.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -80.962606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.962606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.962606 (E_RNA)
where:
Base-Base interactions energy: -34.886
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.070
local terms energy: -46.006986
where:
bonds (distance) C4'-P energy: -12.100
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -12.063
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -80.608003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.608003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.608003 (E_RNA)
where:
Base-Base interactions energy: -35.043
where: short stacking energy: -28.553
Base-Backbone interact. energy: 1.283
local terms energy: -46.847986
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.692
flat angles P-C4'-P energy: -6.284
tors. eta vs tors. theta energy: -6.184
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: 29
Temperature: 0.900000
Total energy: -225.059481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.059481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.059481 (E_RNA)
where:
Base-Base interactions energy: -153.621
where: short stacking energy: -74.074
Base-Backbone interact. energy: -0.298
local terms energy: -71.139846
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -16.019
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -18.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -226.489179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.489179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.489179 (E_RNA)
where:
Base-Base interactions energy: -159.889
where: short stacking energy: -60.242
Base-Backbone interact. energy: -0.009
local terms energy: -66.591314
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -4.532
tors. eta vs tors. theta energy: -15.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -211.557200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.557200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.557200 (E_RNA)
where:
Base-Base interactions energy: -138.510
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.209
local terms energy: -72.838305
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -12.314
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: 4, replica: 1
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -200.207885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.207885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.207885 (E_RNA)
where:
Base-Base interactions energy: -131.775
where: short stacking energy: -61.683
Base-Backbone interact. energy: 0.879
local terms energy: -69.312300
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.747
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -17.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -146.846158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.846158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.846158 (E_RNA)
where:
Base-Base interactions energy: -86.482
where: short stacking energy: -40.809
Base-Backbone interact. energy: -0.728
local terms energy: -59.637054
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -15.403
flat angles P-C4'-P energy: -5.466
tors. eta vs tors. theta energy: -8.766
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: 29
Temperature: 1.150000
Total energy: -186.793152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.793152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.793152 (E_RNA)
where:
Base-Base interactions energy: -119.603
where: short stacking energy: -63.416
Base-Backbone interact. energy: -0.106
local terms energy: -67.083864
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -11.922
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -17.549
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: 2
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -98.185157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.185157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.185157 (E_RNA)
where:
Base-Base interactions energy: -44.087
where: short stacking energy: -39.823
Base-Backbone interact. energy: -0.226
local terms energy: -53.872202
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -1.056
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: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -80.714531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.714531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.714531 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -29.155
Base-Backbone interact. energy: -0.047
local terms energy: -51.511954
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -9.623
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -4.375
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: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -102.975512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.975512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.975512 (E_RNA)
where:
Base-Base interactions energy: -54.191
where: short stacking energy: -40.855
Base-Backbone interact. energy: -0.049
local terms energy: -48.735285
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -11.652
flat angles P-C4'-P energy: -5.234
tors. eta vs tors. theta energy: -7.733
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: 10, replica: 8
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.487251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.487251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.487251 (E_RNA)
where:
Base-Base interactions energy: -36.288
where: short stacking energy: -18.484
Base-Backbone interact. energy: -0.350
local terms energy: -45.848840
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -12.909
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: 2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -215.802301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.802301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.802301 (E_RNA)
where:
Base-Base interactions energy: -146.196
where: short stacking energy: -52.912
Base-Backbone interact. energy: 0.213
local terms energy: -69.819326
where:
bonds (distance) C4'-P energy: -18.582
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -9.920
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -219.533458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.533458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.533458 (E_RNA)
where:
Base-Base interactions energy: -150.380
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.646
local terms energy: -68.507353
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -17.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -201.267604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.267604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.267604 (E_RNA)
where:
Base-Base interactions energy: -124.213
where: short stacking energy: -59.958
Base-Backbone interact. energy: -0.006
local terms energy: -77.048656
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -14.976
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: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -194.666734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.666734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.666734 (E_RNA)
where:
Base-Base interactions energy: -131.210
where: short stacking energy: -66.755
Base-Backbone interact. energy: 4.508
local terms energy: -67.965019
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.558
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: 5, replica: 7
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -188.407289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.407289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.407289 (E_RNA)
where:
Base-Base interactions energy: -124.996
where: short stacking energy: -45.229
Base-Backbone interact. energy: -0.175
local terms energy: -63.236164
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -9.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -141.344618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.344618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.344618 (E_RNA)
where:
Base-Base interactions energy: -94.175
where: short stacking energy: -42.194
Base-Backbone interact. energy: -0.146
local terms energy: -47.023632
where:
bonds (distance) C4'-P energy: -8.721
bonds (distance) P-C4' energy: -17.993
flat angles C4'-P-C4' energy: -10.496
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -3.263
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: 9
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -91.259980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.259980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.259980 (E_RNA)
where:
Base-Base interactions energy: -40.478
where: short stacking energy: -40.478
Base-Backbone interact. energy: -0.086
local terms energy: -50.696432
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -7.340
tors. eta vs tors. theta energy: -1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -94.007919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.007919 (E_RNA)
where:
Base-Base interactions energy: -48.281
where: short stacking energy: -40.888
Base-Backbone interact. energy: -0.283
local terms energy: -45.444052
where:
bonds (distance) C4'-P energy: -10.708
bonds (distance) P-C4' energy: -9.242
flat angles C4'-P-C4' energy: -10.427
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -5.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -80.602583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.602583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.602583 (E_RNA)
where:
Base-Base interactions energy: -39.094
where: short stacking energy: -18.244
Base-Backbone interact. energy: -0.584
local terms energy: -40.924480
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -12.263
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -2.419
tors. eta vs tors. theta energy: 3.953
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: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -76.518702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.518702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.518702 (E_RNA)
where:
Base-Base interactions energy: -27.183
where: short stacking energy: -27.183
Base-Backbone interact. energy: 0.894
local terms energy: -50.229695
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -10.947
flat angles P-C4'-P energy: -6.501
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: 1, replica: 3
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -221.478907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478907 (E_RNA)
where:
Base-Base interactions energy: -153.569
where: short stacking energy: -67.270
Base-Backbone interact. energy: -0.707
local terms energy: -67.202223
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -12.748
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -14.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -207.408226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.408226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.408226 (E_RNA)
where:
Base-Base interactions energy: -134.060
where: short stacking energy: -64.908
Base-Backbone interact. energy: -0.387
local terms energy: -72.961381
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -14.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -211.454917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.454917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.454917 (E_RNA)
where:
Base-Base interactions energy: -144.993
where: short stacking energy: -64.380
Base-Backbone interact. energy: -0.053
local terms energy: -66.408841
where:
bonds (distance) C4'-P energy: -8.796
bonds (distance) P-C4' energy: -13.855
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -12.786
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: 7
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -185.606139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.606139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.606139 (E_RNA)
where:
Base-Base interactions energy: -123.240
where: short stacking energy: -54.028
Base-Backbone interact. energy: -0.243
local terms energy: -62.123028
where:
bonds (distance) C4'-P energy: -10.588
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -15.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -187.382146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.382146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.382146 (E_RNA)
where:
Base-Base interactions energy: -125.173
where: short stacking energy: -56.777
Base-Backbone interact. energy: -0.010
local terms energy: -62.198743
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -11.955
flat angles P-C4'-P energy: -7.846
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: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -102.985994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.985994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.985994 (E_RNA)
where:
Base-Base interactions energy: -42.743
where: short stacking energy: -26.462
Base-Backbone interact. energy: -0.181
local terms energy: -60.061713
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -11.168
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: 7, replica: 5
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -137.118562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.118562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.118562 (E_RNA)
where:
Base-Base interactions energy: -67.799
where: short stacking energy: -40.061
Base-Backbone interact. energy: -0.332
local terms energy: -68.987666
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -11.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -92.665573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.665573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.665573 (E_RNA)
where:
Base-Base interactions energy: -40.209
where: short stacking energy: -35.588
Base-Backbone interact. energy: -0.048
local terms energy: -52.408509
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -12.720
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -7.122
tors. eta vs tors. theta energy: -3.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -80.232293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.232293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.232293 (E_RNA)
where:
Base-Base interactions energy: -35.667
where: short stacking energy: -29.552
Base-Backbone interact. energy: -0.320
local terms energy: -44.244860
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -1.352
tors. eta vs tors. theta energy: -0.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -73.254628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.254628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.254628 (E_RNA)
where:
Base-Base interactions energy: -26.472
where: short stacking energy: -26.472
Base-Backbone interact. energy: -0.254
local terms energy: -46.528017
where:
bonds (distance) C4'-P energy: -9.436
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -8.232
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -200.722359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.722359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.722359 (E_RNA)
where:
Base-Base interactions energy: -124.410
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.626
local terms energy: -75.686305
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -199.777525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.777525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.777525 (E_RNA)
where:
Base-Base interactions energy: -130.363
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.046
local terms energy: -69.368514
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -11.779
flat angles P-C4'-P energy: -9.699
tors. eta vs tors. theta energy: -16.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -198.659383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.659383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.659383 (E_RNA)
where:
Base-Base interactions energy: -128.954
where: short stacking energy: -66.166
Base-Backbone interact. energy: -0.003
local terms energy: -69.701549
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -17.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -201.089644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.089644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.089644 (E_RNA)
where:
Base-Base interactions energy: -137.261
where: short stacking energy: -54.475
Base-Backbone interact. energy: -0.808
local terms energy: -63.020747
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -10.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -183.788230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.788230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.788230 (E_RNA)
where:
Base-Base interactions energy: -118.886
where: short stacking energy: -54.712
Base-Backbone interact. energy: -0.576
local terms energy: -64.326513
where:
bonds (distance) C4'-P energy: -11.304
bonds (distance) P-C4' energy: -9.891
flat angles C4'-P-C4' energy: -15.025
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -91.159044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.159044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.159044 (E_RNA)
where:
Base-Base interactions energy: -36.960
where: short stacking energy: -34.828
Base-Backbone interact. energy: -0.373
local terms energy: -53.825582
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -7.414
tors. eta vs tors. theta energy: -3.322
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: 7, replica: 5
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -144.892937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.892937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.892937 (E_RNA)
where:
Base-Base interactions energy: -95.141
where: short stacking energy: -47.287
Base-Backbone interact. energy: -0.083
local terms energy: -49.668119
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -2.535
tors. eta vs tors. theta energy: -9.645
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -86.711175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711175 (E_RNA)
where:
Base-Base interactions energy: -44.738
where: short stacking energy: -14.331
Base-Backbone interact. energy: -0.170
local terms energy: -41.802740
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -10.148
flat angles P-C4'-P energy: -6.981
tors. eta vs tors. theta energy: -2.725
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: 2
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -83.974675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.974675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.974675 (E_RNA)
where:
Base-Base interactions energy: -36.851
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.294
local terms energy: -46.830087
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -9.205
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -0.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -76.226944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.226944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.226944 (E_RNA)
where:
Base-Base interactions energy: -28.817
where: short stacking energy: -28.817
Base-Backbone interact. energy: 1.247
local terms energy: -48.657784
where:
bonds (distance) C4'-P energy: -10.777
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -11.782
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -3.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -234.247227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.247227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.247227 (E_RNA)
where:
Base-Base interactions energy: -153.947
where: short stacking energy: -74.957
Base-Backbone interact. energy: -0.007
local terms energy: -80.293709
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -13.208
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: 7
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -208.381071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.381071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.381071 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -69.578
Base-Backbone interact. energy: -0.001
local terms energy: -77.807932
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -10.989
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: 3, replica: 3
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -202.489204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.489204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.489204 (E_RNA)
where:
Base-Base interactions energy: -127.626
where: short stacking energy: -58.279
Base-Backbone interact. energy: -1.549
local terms energy: -73.314377
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -15.874
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -194.931226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.931226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.931226 (E_RNA)
where:
Base-Base interactions energy: -127.289
where: short stacking energy: -47.735
Base-Backbone interact. energy: -1.456
local terms energy: -66.185274
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -10.918
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -183.057992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.057992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.057992 (E_RNA)
where:
Base-Base interactions energy: -112.344
where: short stacking energy: -54.818
Base-Backbone interact. energy: -0.206
local terms energy: -70.507506
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -16.005
flat angles C4'-P-C4' energy: -10.837
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -136.499059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.499059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.499059 (E_RNA)
where:
Base-Base interactions energy: -81.097
where: short stacking energy: -39.377
Base-Backbone interact. energy: -0.276
local terms energy: -55.125627
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -104.958634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.958634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.958634 (E_RNA)
where:
Base-Base interactions energy: -48.853
where: short stacking energy: -23.408
Base-Backbone interact. energy: -0.622
local terms energy: -55.483187
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -12.465
flat angles P-C4'-P energy: -9.417
tors. eta vs tors. theta energy: -1.756
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: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -86.216464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.216464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.216464 (E_RNA)
where:
Base-Base interactions energy: -36.120
where: short stacking energy: -25.146
Base-Backbone interact. energy: -0.665
local terms energy: -49.431458
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -12.549
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -97.072405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.072405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.072405 (E_RNA)
where:
Base-Base interactions energy: -49.644
where: short stacking energy: -19.661
Base-Backbone interact. energy: -1.544
local terms energy: -45.884107
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -11.758
flat angles P-C4'-P energy: -6.513
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -79.928870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.928870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.928870 (E_RNA)
where:
Base-Base interactions energy: -31.298
where: short stacking energy: -31.298
Base-Backbone interact. energy: -0.038
local terms energy: -48.592515
where:
bonds (distance) C4'-P energy: -9.873
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -230.352998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.352998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.352998 (E_RNA)
where:
Base-Base interactions energy: -153.250
where: short stacking energy: -73.063
Base-Backbone interact. energy: -0.007
local terms energy: -77.095461
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -197.674912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.674912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.674912 (E_RNA)
where:
Base-Base interactions energy: -122.634
where: short stacking energy: -61.051
Base-Backbone interact. energy: 0.384
local terms energy: -75.424615
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -17.669
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -208.397171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.397171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.397171 (E_RNA)
where:
Base-Base interactions energy: -145.944
where: short stacking energy: -69.283
Base-Backbone interact. energy: -0.220
local terms energy: -62.233538
where:
bonds (distance) C4'-P energy: -11.196
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -10.647
flat angles P-C4'-P energy: -7.671
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -197.198532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.198532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.198532 (E_RNA)
where:
Base-Base interactions energy: -129.095
where: short stacking energy: -56.685
Base-Backbone interact. energy: -0.107
local terms energy: -67.996713
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -11.540
tors. eta vs tors. theta energy: -13.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -137.738174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.738174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.738174 (E_RNA)
where:
Base-Base interactions energy: -81.262
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.067
local terms energy: -56.408953
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -10.008
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -11.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -185.544860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.544860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.544860 (E_RNA)
where:
Base-Base interactions energy: -115.808
where: short stacking energy: -55.255
Base-Backbone interact. energy: -0.217
local terms energy: -69.519460
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -7.954
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -93.242552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.242552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.242552 (E_RNA)
where:
Base-Base interactions energy: -48.208
where: short stacking energy: -22.537
Base-Backbone interact. energy: -0.233
local terms energy: -44.801422
where:
bonds (distance) C4'-P energy: -10.890
bonds (distance) P-C4' energy: -10.970
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -8.801
tors. eta vs tors. theta energy: -1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -86.860742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.860742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.860742 (E_RNA)
where:
Base-Base interactions energy: -39.150
where: short stacking energy: -27.391
Base-Backbone interact. energy: -0.097
local terms energy: -47.613171
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.408
flat angles P-C4'-P energy: -8.107
tors. eta vs tors. theta energy: 0.462
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: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -79.456768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.456768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.456768 (E_RNA)
where:
Base-Base interactions energy: -37.496
where: short stacking energy: -35.096
Base-Backbone interact. energy: 2.126
local terms energy: -44.087699
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -3.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -83.853672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.853672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.853672 (E_RNA)
where:
Base-Base interactions energy: -43.499
where: short stacking energy: -30.417
Base-Backbone interact. energy: -0.149
local terms energy: -40.206284
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -8.341
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: 0.321
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: 10
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -229.284740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.284740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.284740 (E_RNA)
where:
Base-Base interactions energy: -153.237
where: short stacking energy: -76.130
Base-Backbone interact. energy: -0.004
local terms energy: -76.043751
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -19.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -196.396480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.396480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.396480 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -63.292
Base-Backbone interact. energy: -0.219
local terms energy: -70.427659
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.571
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -207.069677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.069677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.069677 (E_RNA)
where:
Base-Base interactions energy: -144.606
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.834
local terms energy: -61.629284
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -12.417
flat angles C4'-P-C4' energy: -16.398
flat angles P-C4'-P energy: -6.360
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: 4, replica: 4
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -200.697064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.697064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.697064 (E_RNA)
where:
Base-Base interactions energy: -131.547
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.182
local terms energy: -68.967813
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -12.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -144.049983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.049983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.049983 (E_RNA)
where:
Base-Base interactions energy: -83.739
where: short stacking energy: -50.057
Base-Backbone interact. energy: -0.026
local terms energy: -60.285714
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.746
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: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -167.473209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.473209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.473209 (E_RNA)
where:
Base-Base interactions energy: -108.355
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.102
local terms energy: -59.016492
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -5.391
tors. eta vs tors. theta energy: -11.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -89.230119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.230119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.230119 (E_RNA)
where:
Base-Base interactions energy: -37.470
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.807
local terms energy: -50.953172
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -5.952
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -89.109909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.109909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.109909 (E_RNA)
where:
Base-Base interactions energy: -36.949
where: short stacking energy: -28.462
Base-Backbone interact. energy: -0.003
local terms energy: -52.158265
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -10.596
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -82.187838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.187838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.187838 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.447
local terms energy: -47.846768
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -1.398
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: 10, replica: 2
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -93.550704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.550704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.550704 (E_RNA)
where:
Base-Base interactions energy: -36.055
where: short stacking energy: -34.510
Base-Backbone interact. energy: 0.546
local terms energy: -58.041666
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -8.862
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: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -231.688472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.688472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.688472 (E_RNA)
where:
Base-Base interactions energy: -155.043
where: short stacking energy: -73.286
Base-Backbone interact. energy: -0.001
local terms energy: -76.644697
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -193.393222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.393222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.393222 (E_RNA)
where:
Base-Base interactions energy: -127.113
where: short stacking energy: -51.703
Base-Backbone interact. energy: -0.008
local terms energy: -66.272248
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -13.524
tors. eta vs tors. theta energy: -12.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -218.399364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.399364 (E_RNA)
where:
Base-Base interactions energy: -154.334
where: short stacking energy: -61.268
Base-Backbone interact. energy: -1.772
local terms energy: -62.293913
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -194.029868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029868 (E_RNA)
where:
Base-Base interactions energy: -132.525
where: short stacking energy: -60.773
Base-Backbone interact. energy: -0.537
local terms energy: -60.968054
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -10.007
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -184.678722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.678722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.678722 (E_RNA)
where:
Base-Base interactions energy: -117.762
where: short stacking energy: -49.836
Base-Backbone interact. energy: -1.090
local terms energy: -65.827664
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -11.305
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -14.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -133.792072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.792072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.792072 (E_RNA)
where:
Base-Base interactions energy: -77.476
where: short stacking energy: -40.918
Base-Backbone interact. energy: -0.273
local terms energy: -56.043256
where:
bonds (distance) C4'-P energy: -14.285
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -5.520
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: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -110.422351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.422351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.422351 (E_RNA)
where:
Base-Base interactions energy: -48.784
where: short stacking energy: -43.073
Base-Backbone interact. energy: -0.041
local terms energy: -61.597149
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -6.478
tors. eta vs tors. theta energy: -13.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -88.590750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590750 (E_RNA)
where:
Base-Base interactions energy: -35.669
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.463
local terms energy: -52.459032
where:
bonds (distance) C4'-P energy: -10.397
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -13.224
flat angles P-C4'-P energy: -10.284
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -84.597531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.597531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.597531 (E_RNA)
where:
Base-Base interactions energy: -32.102
where: short stacking energy: -29.210
Base-Backbone interact. energy: 1.182
local terms energy: -53.676893
where:
bonds (distance) C4'-P energy: -14.666
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -3.508
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -71.980161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.980161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.980161 (E_RNA)
where:
Base-Base interactions energy: -30.965
where: short stacking energy: -16.182
Base-Backbone interact. energy: -0.423
local terms energy: -40.591784
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -8.935
flat angles P-C4'-P energy: -8.359
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: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -231.939741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.939741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.939741 (E_RNA)
where:
Base-Base interactions energy: -147.817
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.002
local terms energy: -84.120918
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -21.456
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: 3
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -214.505499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.505499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.505499 (E_RNA)
where:
Base-Base interactions energy: -149.806
where: short stacking energy: -61.676
Base-Backbone interact. energy: -0.018
local terms energy: -64.681915
where:
bonds (distance) C4'-P energy: -13.362
bonds (distance) P-C4' energy: -13.146
flat angles C4'-P-C4' energy: -15.099
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -14.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -204.955493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.955493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.955493 (E_RNA)
where:
Base-Base interactions energy: -135.793
where: short stacking energy: -66.327
Base-Backbone interact. energy: 0.428
local terms energy: -69.590239
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -10.486
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -17.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -201.176074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.176074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.176074 (E_RNA)
where:
Base-Base interactions energy: -133.517
where: short stacking energy: -63.995
Base-Backbone interact. energy: 1.841
local terms energy: -69.500379
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -18.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -180.529796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.529796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.529796 (E_RNA)
where:
Base-Base interactions energy: -116.095
where: short stacking energy: -55.735
Base-Backbone interact. energy: -0.040
local terms energy: -64.395003
where:
bonds (distance) C4'-P energy: -7.284
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -19.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -99.829693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.829693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.829693 (E_RNA)
where:
Base-Base interactions energy: -44.158
where: short stacking energy: -29.889
Base-Backbone interact. energy: -1.484
local terms energy: -54.187737
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -9.543
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -2.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -118.917990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.917990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.917990 (E_RNA)
where:
Base-Base interactions energy: -73.062
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.866
local terms energy: -44.989771
where:
bonds (distance) C4'-P energy: -8.378
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: 1.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -94.059779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.059779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.059779 (E_RNA)
where:
Base-Base interactions energy: -36.074
where: short stacking energy: -30.044
Base-Backbone interact. energy: -0.270
local terms energy: -57.716150
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -13.181
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -69.994306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.994306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.994306 (E_RNA)
where:
Base-Base interactions energy: -23.350
where: short stacking energy: -21.361
Base-Backbone interact. energy: -0.998
local terms energy: -45.645597
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: 0.247
tors. eta vs tors. theta energy: -3.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -85.567790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.567790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.567790 (E_RNA)
where:
Base-Base interactions energy: -42.766
where: short stacking energy: -23.545
Base-Backbone interact. energy: -0.234
local terms energy: -42.568092
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -7.802
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -0.944
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: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -226.946146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.946146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.946146 (E_RNA)
where:
Base-Base interactions energy: -150.453
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.671
local terms energy: -75.822464
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -217.233706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.233706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.233706 (E_RNA)
where:
Base-Base interactions energy: -153.158
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.557
local terms energy: -63.518354
where:
bonds (distance) C4'-P energy: -11.303
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -14.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -204.598492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.598492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.598492 (E_RNA)
where:
Base-Base interactions energy: -129.875
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.278
local terms energy: -74.446069
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -13.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -196.271640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.271640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.271640 (E_RNA)
where:
Base-Base interactions energy: -127.027
where: short stacking energy: -50.702
Base-Backbone interact. energy: -0.153
local terms energy: -69.091164
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -9.439
tors. eta vs tors. theta energy: -16.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -186.572294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.572294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.572294 (E_RNA)
where:
Base-Base interactions energy: -115.372
where: short stacking energy: -56.622
Base-Backbone interact. energy: 1.478
local terms energy: -72.677694
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -130.791289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.791289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.791289 (E_RNA)
where:
Base-Base interactions energy: -75.112
where: short stacking energy: -34.050
Base-Backbone interact. energy: -0.109
local terms energy: -55.570706
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -7.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -93.331520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.331520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.331520 (E_RNA)
where:
Base-Base interactions energy: -41.859
where: short stacking energy: -41.859
Base-Backbone interact. energy: -0.096
local terms energy: -51.376422
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -8.719
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -7.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -132.304142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.304142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.304142 (E_RNA)
where:
Base-Base interactions energy: -65.439
where: short stacking energy: -38.818
Base-Backbone interact. energy: -0.127
local terms energy: -66.738228
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -11.282
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: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -88.263918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.263918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.263918 (E_RNA)
where:
Base-Base interactions energy: -33.594
where: short stacking energy: -26.311
Base-Backbone interact. energy: -0.213
local terms energy: -54.456955
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -6.458
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -80.399200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.399200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.399200 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -16.457
Base-Backbone interact. energy: 0.757
local terms energy: -53.664505
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: 0.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -227.451818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.451818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.451818 (E_RNA)
where:
Base-Base interactions energy: -152.477
where: short stacking energy: -70.894
Base-Backbone interact. energy: -0.030
local terms energy: -74.944040
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -11.502
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: 2, replica: 4
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -219.661134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.661134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.661134 (E_RNA)
where:
Base-Base interactions energy: -138.490
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.385
local terms energy: -80.785614
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -18.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -189.189236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.189236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.189236 (E_RNA)
where:
Base-Base interactions energy: -127.649
where: short stacking energy: -56.199
Base-Backbone interact. energy: -0.771
local terms energy: -60.769974
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -10.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -185.339272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.339272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.339272 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -48.898
Base-Backbone interact. energy: -0.207
local terms energy: -57.533201
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -10.828
flat angles P-C4'-P energy: -5.981
tors. eta vs tors. theta energy: -13.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -191.480788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.480788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.480788 (E_RNA)
where:
Base-Base interactions energy: -117.865
where: short stacking energy: -53.121
Base-Backbone interact. energy: -0.770
local terms energy: -72.846285
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -15.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -100.608211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.608211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.608211 (E_RNA)
where:
Base-Base interactions energy: -44.652
where: short stacking energy: -41.715
Base-Backbone interact. energy: -0.089
local terms energy: -55.866702
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.433
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -99.599715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.599715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.599715 (E_RNA)
where:
Base-Base interactions energy: -53.154
where: short stacking energy: -32.856
Base-Backbone interact. energy: 0.447
local terms energy: -46.893382
where:
bonds (distance) C4'-P energy: -10.576
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -14.289
flat angles P-C4'-P energy: -5.498
tors. eta vs tors. theta energy: 1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -88.953589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.953589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.953589 (E_RNA)
where:
Base-Base interactions energy: -42.033
where: short stacking energy: -27.526
Base-Backbone interact. energy: -0.143
local terms energy: -46.777255
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -8.619
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -2.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -104.254402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.254402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.254402 (E_RNA)
where:
Base-Base interactions energy: -59.194
where: short stacking energy: -22.868
Base-Backbone interact. energy: -0.606
local terms energy: -44.454065
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -11.030
flat angles P-C4'-P energy: -4.774
tors. eta vs tors. theta energy: -0.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -82.711618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.711618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.711618 (E_RNA)
where:
Base-Base interactions energy: -43.851
where: short stacking energy: -27.181
Base-Backbone interact. energy: -0.494
local terms energy: -38.366867
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -12.564
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -5.856
tors. eta vs tors. theta energy: 2.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -228.861105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861105 (E_RNA)
where:
Base-Base interactions energy: -147.846
where: short stacking energy: -69.233
Base-Backbone interact. energy: -0.013
local terms energy: -81.001966
where:
bonds (distance) C4'-P energy: -16.350
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -20.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -222.589856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.589856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.589856 (E_RNA)
where:
Base-Base interactions energy: -142.810
where: short stacking energy: -66.881
Base-Backbone interact. energy: 0.078
local terms energy: -79.857220
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -19.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -191.641035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.641035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.641035 (E_RNA)
where:
Base-Base interactions energy: -120.202
where: short stacking energy: -63.608
Base-Backbone interact. energy: -0.068
local terms energy: -71.371012
where:
bonds (distance) C4'-P energy: -15.685
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -11.467
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: 4, replica: 3
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -185.861911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.861911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.861911 (E_RNA)
where:
Base-Base interactions energy: -120.939
where: short stacking energy: -58.220
Base-Backbone interact. energy: 0.664
local terms energy: -65.586680
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -15.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -184.243644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.243644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.243644 (E_RNA)
where:
Base-Base interactions energy: -126.318
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.225
local terms energy: -57.700500
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -11.996
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: 2
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -92.335215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.335215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.335215 (E_RNA)
where:
Base-Base interactions energy: -48.462
where: short stacking energy: -37.676
Base-Backbone interact. energy: -0.049
local terms energy: -43.824389
where:
bonds (distance) C4'-P energy: -11.374
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -2.700
tors. eta vs tors. theta energy: -4.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -115.357471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.357471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.357471 (E_RNA)
where:
Base-Base interactions energy: -54.247
where: short stacking energy: -40.816
Base-Backbone interact. energy: -0.140
local terms energy: -60.970372
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -11.154
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -12.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -89.436275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.436275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.436275 (E_RNA)
where:
Base-Base interactions energy: -37.252
where: short stacking energy: -28.579
Base-Backbone interact. energy: -0.239
local terms energy: -51.944655
where:
bonds (distance) C4'-P energy: -8.805
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -101.376665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.376665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.376665 (E_RNA)
where:
Base-Base interactions energy: -48.806
where: short stacking energy: -37.419
Base-Backbone interact. energy: -0.113
local terms energy: -52.457093
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -4.731
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: 10, replica: 5
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -76.092168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.092168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.092168 (E_RNA)
where:
Base-Base interactions energy: -30.239
where: short stacking energy: -27.071
Base-Backbone interact. energy: -0.133
local terms energy: -45.719766
where:
bonds (distance) C4'-P energy: -11.594
bonds (distance) P-C4' energy: -10.523
flat angles C4'-P-C4' energy: -12.216
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -237.549434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.549434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.549434 (E_RNA)
where:
Base-Base interactions energy: -156.211
where: short stacking energy: -64.287
Base-Backbone interact. energy: -0.418
local terms energy: -80.920126
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -12.262
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: 2, replica: 4
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -216.049037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.049037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.049037 (E_RNA)
where:
Base-Base interactions energy: -143.788
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.539
local terms energy: -71.722080
where:
bonds (distance) C4'-P energy: -12.703
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -13.322
flat angles P-C4'-P energy: -12.150
tors. eta vs tors. theta energy: -19.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -203.372536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.372536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.372536 (E_RNA)
where:
Base-Base interactions energy: -124.729
where: short stacking energy: -61.217
Base-Backbone interact. energy: -1.820
local terms energy: -76.822791
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -12.153
tors. eta vs tors. theta energy: -15.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -181.565805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.565805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.565805 (E_RNA)
where:
Base-Base interactions energy: -112.754
where: short stacking energy: -52.630
Base-Backbone interact. energy: -0.098
local terms energy: -68.713849
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -10.517
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -13.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -183.552939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.552939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.552939 (E_RNA)
where:
Base-Base interactions energy: -113.626
where: short stacking energy: -48.537
Base-Backbone interact. energy: -0.044
local terms energy: -69.882841
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -92.123092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.123092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.123092 (E_RNA)
where:
Base-Base interactions energy: -40.302
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.152
local terms energy: -51.669453
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -12.411
flat angles P-C4'-P energy: -7.273
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: 7, replica: 2
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -93.981817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.981817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.981817 (E_RNA)
where:
Base-Base interactions energy: -38.890
where: short stacking energy: -27.058
Base-Backbone interact. energy: -0.025
local terms energy: -55.067370
where:
bonds (distance) C4'-P energy: -13.094
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -9.394
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -121.189866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.189866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.189866 (E_RNA)
where:
Base-Base interactions energy: -62.073
where: short stacking energy: -27.279
Base-Backbone interact. energy: -0.140
local terms energy: -58.977102
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -10.151
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -93.146989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.146989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.146989 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -35.956
Base-Backbone interact. energy: -0.058
local terms energy: -56.185619
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -77.397841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.397841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.397841 (E_RNA)
where:
Base-Base interactions energy: -24.477
where: short stacking energy: -21.726
Base-Backbone interact. energy: -0.115
local terms energy: -52.806234
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -5.917
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: 42
Temperature: 0.900000
Total energy: -230.770119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.770119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.770119 (E_RNA)
where:
Base-Base interactions energy: -151.073
where: short stacking energy: -76.506
Base-Backbone interact. energy: -0.024
local terms energy: -79.673104
where:
bonds (distance) C4'-P energy: -15.490
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -9.908
tors. eta vs tors. theta energy: -23.450
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: 42
Temperature: 0.950000
Total energy: -217.302173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.302173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.302173 (E_RNA)
where:
Base-Base interactions energy: -142.055
where: short stacking energy: -63.438
Base-Backbone interact. energy: -0.367
local terms energy: -74.879984
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.288
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -18.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -193.199316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.199316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.199316 (E_RNA)
where:
Base-Base interactions energy: -122.300
where: short stacking energy: -54.396
Base-Backbone interact. energy: -0.132
local terms energy: -70.766731
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -16.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -205.822723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.822723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.822723 (E_RNA)
where:
Base-Base interactions energy: -143.089
where: short stacking energy: -63.884
Base-Backbone interact. energy: 0.182
local terms energy: -62.916336
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -10.140
flat angles P-C4'-P energy: -10.722
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: 42
Temperature: 1.100000
Total energy: -177.311727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.311727 (E_RNA)
where:
Base-Base interactions energy: -113.153
where: short stacking energy: -52.578
Base-Backbone interact. energy: -0.202
local terms energy: -63.957408
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -12.531
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -13.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -102.708428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.708428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.708428 (E_RNA)
where:
Base-Base interactions energy: -42.313
where: short stacking energy: -29.608
Base-Backbone interact. energy: 1.823
local terms energy: -62.219254
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -149.104702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.104702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.104702 (E_RNA)
where:
Base-Base interactions energy: -89.256
where: short stacking energy: -49.625
Base-Backbone interact. energy: 0.023
local terms energy: -59.872007
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -9.950
tors. eta vs tors. theta energy: -9.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -86.425451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.425451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.425451 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -23.134
Base-Backbone interact. energy: -0.210
local terms energy: -53.498632
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -3.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -87.521340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521340 (E_RNA)
where:
Base-Base interactions energy: -32.026
where: short stacking energy: -32.026
Base-Backbone interact. energy: -0.052
local terms energy: -55.443758
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -11.598
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -6.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -80.637991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.637991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.637991 (E_RNA)
where:
Base-Base interactions energy: -38.845
where: short stacking energy: -23.397
Base-Backbone interact. energy: -0.254
local terms energy: -41.539183
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -12.542
flat angles C4'-P-C4' energy: -13.394
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: 4.377
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -227.053441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.053441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.053441 (E_RNA)
where:
Base-Base interactions energy: -148.600
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.107
local terms energy: -78.346184
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -15.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -213.019649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.019649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.019649 (E_RNA)
where:
Base-Base interactions energy: -139.132
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.378
local terms energy: -73.508663
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -18.788
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: 3, replica: 3
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -196.444361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.444361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.444361 (E_RNA)
where:
Base-Base interactions energy: -122.806
where: short stacking energy: -61.942
Base-Backbone interact. energy: -0.001
local terms energy: -73.637290
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -15.228
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -17.442
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: 1
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -211.757391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.757391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.757391 (E_RNA)
where:
Base-Base interactions energy: -134.261
where: short stacking energy: -68.999
Base-Backbone interact. energy: -0.195
local terms energy: -77.301013
where:
bonds (distance) C4'-P energy: -12.974
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -18.648
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: 5, replica: 7
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -177.666563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.666563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.666563 (E_RNA)
where:
Base-Base interactions energy: -106.829
where: short stacking energy: -56.558
Base-Backbone interact. energy: -0.159
local terms energy: -70.678528
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -14.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -147.465528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.465528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.465528 (E_RNA)
where:
Base-Base interactions energy: -89.203
where: short stacking energy: -46.181
Base-Backbone interact. energy: -0.151
local terms energy: -58.111531
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -8.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -84.399358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.399358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.399358 (E_RNA)
where:
Base-Base interactions energy: -35.147
where: short stacking energy: -33.344
Base-Backbone interact. energy: -0.118
local terms energy: -49.134525
where:
bonds (distance) C4'-P energy: -10.158
bonds (distance) P-C4' energy: -10.517
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -1.699
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: 5
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -88.353674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.353674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.353674 (E_RNA)
where:
Base-Base interactions energy: -29.986
where: short stacking energy: -29.986
Base-Backbone interact. energy: -0.121
local terms energy: -58.246781
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -6.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -77.671358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.671358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.671358 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -23.252
Base-Backbone interact. energy: 0.021
local terms energy: -45.407286
where:
bonds (distance) C4'-P energy: -10.502
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: 1.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -81.077994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.077994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.077994 (E_RNA)
where:
Base-Base interactions energy: -29.063
where: short stacking energy: -28.011
Base-Backbone interact. energy: -0.206
local terms energy: -51.808938
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -4.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -229.623780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.623780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.623780 (E_RNA)
where:
Base-Base interactions energy: -155.462
where: short stacking energy: -77.084
Base-Backbone interact. energy: -0.012
local terms energy: -74.149132
where:
bonds (distance) C4'-P energy: -10.773
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -12.218
flat angles P-C4'-P energy: -12.660
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -217.185589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.185589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.185589 (E_RNA)
where:
Base-Base interactions energy: -150.581
where: short stacking energy: -58.851
Base-Backbone interact. energy: -0.045
local terms energy: -66.559284
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -14.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -224.813850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.813850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.813850 (E_RNA)
where:
Base-Base interactions energy: -144.650
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.674
local terms energy: -79.489613
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -17.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -202.352374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.352374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.352374 (E_RNA)
where:
Base-Base interactions energy: -126.709
where: short stacking energy: -61.578
Base-Backbone interact. energy: -0.001
local terms energy: -75.642332
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -16.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -151.767810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.767810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.767810 (E_RNA)
where:
Base-Base interactions energy: -89.048
where: short stacking energy: -43.223
Base-Backbone interact. energy: -0.006
local terms energy: -62.713569
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -4.998
tors. eta vs tors. theta energy: -11.961
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: 7
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -179.119839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.119839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.119839 (E_RNA)
where:
Base-Base interactions energy: -118.667
where: short stacking energy: -53.599
Base-Backbone interact. energy: 1.048
local terms energy: -61.500716
where:
bonds (distance) C4'-P energy: -10.824
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -15.613
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -13.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -80.535259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.535259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.535259 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -26.486
Base-Backbone interact. energy: -0.385
local terms energy: -53.122199
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -86.708553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.708553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.708553 (E_RNA)
where:
Base-Base interactions energy: -39.321
where: short stacking energy: -14.954
Base-Backbone interact. energy: -0.620
local terms energy: -46.767234
where:
bonds (distance) C4'-P energy: -9.978
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.950
flat angles P-C4'-P energy: -9.743
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: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -87.627613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.627613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.627613 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.128
local terms energy: -49.671087
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -1.365
tors. eta vs tors. theta energy: -6.451
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: 44
Temperature: 1.350000
Total energy: -81.304101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.304101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.304101 (E_RNA)
where:
Base-Base interactions energy: -29.511
where: short stacking energy: -23.422
Base-Backbone interact. energy: 0.001
local terms energy: -51.793965
where:
bonds (distance) C4'-P energy: -7.167
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -4.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -231.948329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.948329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.948329 (E_RNA)
where:
Base-Base interactions energy: -151.210
where: short stacking energy: -71.753
Base-Backbone interact. energy: -0.000
local terms energy: -80.738441
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.524
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -21.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -220.651556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.651556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.651556 (E_RNA)
where:
Base-Base interactions energy: -148.853
where: short stacking energy: -53.695
Base-Backbone interact. energy: -1.897
local terms energy: -69.902191
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -6.189
tors. eta vs tors. theta energy: -13.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -224.623056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.623056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.623056 (E_RNA)
where:
Base-Base interactions energy: -146.866
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.364
local terms energy: -77.393655
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -16.041
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: 3
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -190.722085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.722085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.722085 (E_RNA)
where:
Base-Base interactions energy: -128.907
where: short stacking energy: -67.379
Base-Backbone interact. energy: 0.860
local terms energy: -62.674619
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -16.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -145.116744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.116744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.116744 (E_RNA)
where:
Base-Base interactions energy: -75.951
where: short stacking energy: -44.342
Base-Backbone interact. energy: -0.145
local terms energy: -69.020824
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -12.207
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -16.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -180.037629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.037629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.037629 (E_RNA)
where:
Base-Base interactions energy: -117.378
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.283
local terms energy: -62.376303
where:
bonds (distance) C4'-P energy: -11.325
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -8.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -101.464525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.464525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.464525 (E_RNA)
where:
Base-Base interactions energy: -37.741
where: short stacking energy: -32.151
Base-Backbone interact. energy: 0.182
local terms energy: -63.905369
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -10.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -84.784737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.784737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.784737 (E_RNA)
where:
Base-Base interactions energy: -27.465
where: short stacking energy: -27.465
Base-Backbone interact. energy: 0.093
local terms energy: -57.413010
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.109
tors. eta vs tors. theta energy: -2.246
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -77.147146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.147146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.147146 (E_RNA)
where:
Base-Base interactions energy: -26.125
where: short stacking energy: -26.125
Base-Backbone interact. energy: -0.008
local terms energy: -51.014804
where:
bonds (distance) C4'-P energy: -8.813
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -9.891
flat angles P-C4'-P energy: -9.486
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: 10, replica: 2
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -77.848499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.848499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.848499 (E_RNA)
where:
Base-Base interactions energy: -26.007
where: short stacking energy: -26.339
Base-Backbone interact. energy: -0.011
local terms energy: -51.829886
where:
bonds (distance) C4'-P energy: -10.290
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -11.274
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -5.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -229.235739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235739 (E_RNA)
where:
Base-Base interactions energy: -151.467
where: short stacking energy: -72.710
Base-Backbone interact. energy: -0.001
local terms energy: -77.767728
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.532
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -23.512
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: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -223.607482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.607482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.607482 (E_RNA)
where:
Base-Base interactions energy: -145.016
where: short stacking energy: -65.272
Base-Backbone interact. energy: -0.472
local terms energy: -78.119005
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -16.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -197.260331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.260331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.260331 (E_RNA)
where:
Base-Base interactions energy: -127.837
where: short stacking energy: -57.580
Base-Backbone interact. energy: -0.085
local terms energy: -69.338260
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.970
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -201.105524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.105524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.105524 (E_RNA)
where:
Base-Base interactions energy: -133.622
where: short stacking energy: -68.377
Base-Backbone interact. energy: -0.426
local terms energy: -67.057663
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -10.545
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -15.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -189.181171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.181171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.181171 (E_RNA)
where:
Base-Base interactions energy: -124.610
where: short stacking energy: -64.855
Base-Backbone interact. energy: -0.003
local terms energy: -64.568158
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -149.447638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.447638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.447638 (E_RNA)
where:
Base-Base interactions energy: -93.885
where: short stacking energy: -48.762
Base-Backbone interact. energy: -0.262
local terms energy: -55.300317
where:
bonds (distance) C4'-P energy: -8.423
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -10.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -94.969630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.969630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.969630 (E_RNA)
where:
Base-Base interactions energy: -34.763
where: short stacking energy: -34.763
Base-Backbone interact. energy: -0.010
local terms energy: -60.196776
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -4.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -88.741323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.741323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.741323 (E_RNA)
where:
Base-Base interactions energy: -38.278
where: short stacking energy: -38.278
Base-Backbone interact. energy: -0.048
local terms energy: -50.415836
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -6.128
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -6.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -98.240267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.240267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.240267 (E_RNA)
where:
Base-Base interactions energy: -48.917
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.186
local terms energy: -49.137717
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -2.808
tors. eta vs tors. theta energy: -2.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -74.296940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.296940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.296940 (E_RNA)
where:
Base-Base interactions energy: -25.925
where: short stacking energy: -24.416
Base-Backbone interact. energy: 0.184
local terms energy: -48.556017
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -13.134
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: 1.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -227.540780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.540780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.540780 (E_RNA)
where:
Base-Base interactions energy: -154.807
where: short stacking energy: -75.058
Base-Backbone interact. energy: -0.001
local terms energy: -72.733250
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -13.976
flat angles P-C4'-P energy: -9.596
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: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -218.443115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.443115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.443115 (E_RNA)
where:
Base-Base interactions energy: -135.760
where: short stacking energy: -66.578
Base-Backbone interact. energy: -0.066
local terms energy: -82.617321
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -204.870284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.870284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.870284 (E_RNA)
where:
Base-Base interactions energy: -135.671
where: short stacking energy: -74.258
Base-Backbone interact. energy: 1.556
local terms energy: -70.755005
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -9.793
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: 4
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -213.139648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.139648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.139648 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -66.159
Base-Backbone interact. energy: 1.751
local terms energy: -69.367065
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -12.274
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -14.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -178.150781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.150781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.150781 (E_RNA)
where:
Base-Base interactions energy: -113.374
where: short stacking energy: -56.380
Base-Backbone interact. energy: -0.782
local terms energy: -63.995376
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -14.254
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: 9
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -132.457430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.457430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.457430 (E_RNA)
where:
Base-Base interactions energy: -78.340
where: short stacking energy: -38.359
Base-Backbone interact. energy: -0.268
local terms energy: -53.848884
where:
bonds (distance) C4'-P energy: -11.688
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -7.820
tors. eta vs tors. theta energy: -6.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -116.712150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.712150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.712150 (E_RNA)
where:
Base-Base interactions energy: -61.247
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.247
local terms energy: -55.218676
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -8.313
tors. eta vs tors. theta energy: -4.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -116.465363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.465363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.465363 (E_RNA)
where:
Base-Base interactions energy: -76.916
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.059
local terms energy: -39.490292
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -10.274
flat angles C4'-P-C4' energy: -12.256
flat angles P-C4'-P energy: -2.627
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -80.516735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.516735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.516735 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -36.901
Base-Backbone interact. energy: 0.040
local terms energy: -43.656016
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -4.432
tors. eta vs tors. theta energy: 0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -76.214089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.214089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.214089 (E_RNA)
where:
Base-Base interactions energy: -31.187
where: short stacking energy: -14.748
Base-Backbone interact. energy: 0.721
local terms energy: -45.748210
where:
bonds (distance) C4'-P energy: -12.915
bonds (distance) P-C4' energy: -15.103
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: 1.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -220.004692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.004692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.004692 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -65.251
Base-Backbone interact. energy: -1.484
local terms energy: -73.851342
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -14.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -232.966775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.966775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.966775 (E_RNA)
where:
Base-Base interactions energy: -153.278
where: short stacking energy: -72.195
Base-Backbone interact. energy: -0.003
local terms energy: -79.685328
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -22.751
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: 48
Temperature: 1.000000
Total energy: -214.147837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.147837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.147837 (E_RNA)
where:
Base-Base interactions energy: -144.561
where: short stacking energy: -62.485
Base-Backbone interact. energy: -0.315
local terms energy: -69.271798
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -16.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -193.843236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.843236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.843236 (E_RNA)
where:
Base-Base interactions energy: -127.207
where: short stacking energy: -57.850
Base-Backbone interact. energy: -0.043
local terms energy: -66.593638
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -16.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -189.869802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.869802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.869802 (E_RNA)
where:
Base-Base interactions energy: -116.316
where: short stacking energy: -59.479
Base-Backbone interact. energy: -0.293
local terms energy: -73.260686
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -17.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -153.051360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.051360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.051360 (E_RNA)
where:
Base-Base interactions energy: -90.652
where: short stacking energy: -51.217
Base-Backbone interact. energy: -0.261
local terms energy: -62.137849
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -10.935
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: 7, replica: 2
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -142.812285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.812285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.812285 (E_RNA)
where:
Base-Base interactions energy: -81.783
where: short stacking energy: -41.840
Base-Backbone interact. energy: -0.792
local terms energy: -60.236438
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -8.482
flat angles P-C4'-P energy: -8.974
tors. eta vs tors. theta energy: -9.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -117.814205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.814205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.814205 (E_RNA)
where:
Base-Base interactions energy: -63.186
where: short stacking energy: -41.437
Base-Backbone interact. energy: -0.128
local terms energy: -54.500224
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -11.041
flat angles P-C4'-P energy: -5.243
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.189905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189905 (E_RNA)
where:
Base-Base interactions energy: -34.464
where: short stacking energy: -30.915
Base-Backbone interact. energy: -0.138
local terms energy: -55.588038
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -7.776
flat angles P-C4'-P energy: -7.848
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: 10, replica: 6
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -84.147843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147843 (E_RNA)
where:
Base-Base interactions energy: -41.308
where: short stacking energy: -22.772
Base-Backbone interact. energy: -0.065
local terms energy: -42.774454
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -10.425
flat angles P-C4'-P energy: -5.604
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: 49
Temperature: 0.900000
Total energy: -214.652526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652526 (E_RNA)
where:
Base-Base interactions energy: -136.492
where: short stacking energy: -72.118
Base-Backbone interact. energy: -1.349
local terms energy: -76.811275
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -12.810
flat angles P-C4'-P energy: -12.885
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: 2, replica: 4
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -205.585145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585145 (E_RNA)
where:
Base-Base interactions energy: -146.650
where: short stacking energy: -57.488
Base-Backbone interact. energy: -0.530
local terms energy: -58.405656
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -14.144
flat angles P-C4'-P energy: -5.999
tors. eta vs tors. theta energy: -12.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -221.731661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.731661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.731661 (E_RNA)
where:
Base-Base interactions energy: -146.439
where: short stacking energy: -69.127
Base-Backbone interact. energy: 0.321
local terms energy: -75.613326
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -10.526
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: 4, replica: 7
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -189.924012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.924012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.924012 (E_RNA)
where:
Base-Base interactions energy: -126.706
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.022
local terms energy: -63.195277
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -13.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -191.259241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.259241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.259241 (E_RNA)
where:
Base-Base interactions energy: -115.661
where: short stacking energy: -52.619
Base-Backbone interact. energy: 0.010
local terms energy: -75.608436
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -12.439
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -136.508534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.508534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.508534 (E_RNA)
where:
Base-Base interactions energy: -76.306
where: short stacking energy: -49.039
Base-Backbone interact. energy: -0.459
local terms energy: -59.743556
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -11.688
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -156.670132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.670132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.670132 (E_RNA)
where:
Base-Base interactions energy: -95.434
where: short stacking energy: -52.644
Base-Backbone interact. energy: -0.078
local terms energy: -61.158621
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -5.177
tors. eta vs tors. theta energy: -11.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -97.905416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.905416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.905416 (E_RNA)
where:
Base-Base interactions energy: -40.205
where: short stacking energy: -18.606
Base-Backbone interact. energy: -0.242
local terms energy: -57.457790
where:
bonds (distance) C4'-P energy: -9.716
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -2.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -99.483391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.483391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.483391 (E_RNA)
where:
Base-Base interactions energy: -41.407
where: short stacking energy: -29.228
Base-Backbone interact. energy: -0.161
local terms energy: -57.916141
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -11.976
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: 10, replica: 6
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -112.617527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.617527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.617527 (E_RNA)
where:
Base-Base interactions energy: -58.267
where: short stacking energy: -28.697
Base-Backbone interact. energy: -0.313
local terms energy: -54.036747
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -210.280769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.280769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.280769 (E_RNA)
where:
Base-Base interactions energy: -136.824
where: short stacking energy: -66.973
Base-Backbone interact. energy: 0.609
local terms energy: -74.064887
where:
bonds (distance) C4'-P energy: -11.979
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -11.045
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: 2, replica: 1
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -216.416819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.416819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.416819 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.208
local terms energy: -80.121138
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -16.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -200.394921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.394921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.394921 (E_RNA)
where:
Base-Base interactions energy: -129.950
where: short stacking energy: -67.765
Base-Backbone interact. energy: 0.737
local terms energy: -71.181726
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -8.763
tors. eta vs tors. theta energy: -17.387
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: 4, replica: 10
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -219.518542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.518542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.518542 (E_RNA)
where:
Base-Base interactions energy: -144.411
where: short stacking energy: -66.681
Base-Backbone interact. energy: -0.098
local terms energy: -75.009729
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -12.056
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: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -189.259251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.259251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.259251 (E_RNA)
where:
Base-Base interactions energy: -117.495
where: short stacking energy: -51.641
Base-Backbone interact. energy: -0.202
local terms energy: -71.562712
where:
bonds (distance) C4'-P energy: -17.443
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -11.930
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -17.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -142.197484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.197484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.197484 (E_RNA)
where:
Base-Base interactions energy: -84.480
where: short stacking energy: -37.913
Base-Backbone interact. energy: -0.428
local terms energy: -57.290089
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -7.798
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: 7, replica: 8
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -88.615481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615481 (E_RNA)
where:
Base-Base interactions energy: -34.668
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.268
local terms energy: -53.679998
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -11.006
flat angles P-C4'-P energy: -11.287
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -151.695864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.695864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.695864 (E_RNA)
where:
Base-Base interactions energy: -88.257
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.012
local terms energy: -63.426570
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -12.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -139.742005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.742005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.742005 (E_RNA)
where:
Base-Base interactions energy: -84.579
where: short stacking energy: -46.597
Base-Backbone interact. energy: 0.701
local terms energy: -55.864280
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -8.471
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: 5
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -71.185684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.185684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.185684 (E_RNA)
where:
Base-Base interactions energy: -22.917
where: short stacking energy: -12.823
Base-Backbone interact. energy: 0.119
local terms energy: -48.388244
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: 4.023
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: 4
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -217.408633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.408633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.408633 (E_RNA)
where:
Base-Base interactions energy: -150.313
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.433
local terms energy: -66.662466
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -13.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -221.524372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.524372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.524372 (E_RNA)
where:
Base-Base interactions energy: -153.099
where: short stacking energy: -64.497
Base-Backbone interact. energy: -0.353
local terms energy: -68.072420
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -12.810
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -6.257
tors. eta vs tors. theta energy: -18.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -189.861516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.861516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.861516 (E_RNA)
where:
Base-Base interactions energy: -127.890
where: short stacking energy: -62.209
Base-Backbone interact. energy: -0.004
local terms energy: -61.967204
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -11.757
flat angles P-C4'-P energy: -3.407
tors. eta vs tors. theta energy: -18.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -201.332194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.332194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.332194 (E_RNA)
where:
Base-Base interactions energy: -125.863
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.186
local terms energy: -75.282826
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -16.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -192.077666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.077666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.077666 (E_RNA)
where:
Base-Base interactions energy: -127.503
where: short stacking energy: -54.938
Base-Backbone interact. energy: 0.021
local terms energy: -64.596330
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -9.154
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -13.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -147.263071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.263071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.263071 (E_RNA)
where:
Base-Base interactions energy: -89.022
where: short stacking energy: -58.774
Base-Backbone interact. energy: -0.163
local terms energy: -58.078229
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -11.647
flat angles P-C4'-P energy: -8.088
tors. eta vs tors. theta energy: -13.167
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: 8
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -154.598018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.598018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.598018 (E_RNA)
where:
Base-Base interactions energy: -98.023
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.417
local terms energy: -56.158005
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.807
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -139.392892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.392892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.392892 (E_RNA)
where:
Base-Base interactions energy: -81.351
where: short stacking energy: -37.745
Base-Backbone interact. energy: -0.678
local terms energy: -57.364179
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -9.546
tors. eta vs tors. theta energy: -7.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -128.719291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.719291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.719291 (E_RNA)
where:
Base-Base interactions energy: -64.727
where: short stacking energy: -38.883
Base-Backbone interact. energy: -0.623
local terms energy: -63.368794
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -15.699
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -12.739
tors. eta vs tors. theta energy: -11.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -85.421613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.421613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.421613 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -22.472
Base-Backbone interact. energy: -0.249
local terms energy: -49.991215
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -5.158
tors. eta vs tors. theta energy: 1.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -221.013870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.013870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.013870 (E_RNA)
where:
Base-Base interactions energy: -152.246
where: short stacking energy: -66.196
Base-Backbone interact. energy: 0.446
local terms energy: -69.213405
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -213.137204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.137204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.137204 (E_RNA)
where:
Base-Base interactions energy: -136.812
where: short stacking energy: -59.849
Base-Backbone interact. energy: -0.394
local terms energy: -75.931341
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -12.244
tors. eta vs tors. theta energy: -14.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -205.067143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.067143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.067143 (E_RNA)
where:
Base-Base interactions energy: -131.403
where: short stacking energy: -70.429
Base-Backbone interact. energy: -0.614
local terms energy: -73.050364
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -15.914
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: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -196.979507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.979507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.979507 (E_RNA)
where:
Base-Base interactions energy: -127.944
where: short stacking energy: -55.295
Base-Backbone interact. energy: -0.200
local terms energy: -68.835633
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -17.193
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -7.026
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: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -194.294919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.294919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.294919 (E_RNA)
where:
Base-Base interactions energy: -133.309
where: short stacking energy: -57.410
Base-Backbone interact. energy: 0.368
local terms energy: -61.353917
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -14.341
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: 52
Temperature: 1.150000
Total energy: -155.754636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.754636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.754636 (E_RNA)
where:
Base-Base interactions energy: -95.818
where: short stacking energy: -44.580
Base-Backbone interact. energy: -0.060
local terms energy: -59.877505
where:
bonds (distance) C4'-P energy: -10.877
bonds (distance) P-C4' energy: -16.436
flat angles C4'-P-C4' energy: -11.918
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -9.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -145.730412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.730412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.730412 (E_RNA)
where:
Base-Base interactions energy: -86.797
where: short stacking energy: -45.515
Base-Backbone interact. energy: -0.785
local terms energy: -58.147688
where:
bonds (distance) C4'-P energy: -9.889
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -10.903
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -11.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -157.686366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.686366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.686366 (E_RNA)
where:
Base-Base interactions energy: -93.134
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.805
local terms energy: -63.747923
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -7.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -81.978882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978882 (E_RNA)
where:
Base-Base interactions energy: -36.351
where: short stacking energy: -36.328
Base-Backbone interact. energy: 2.908
local terms energy: -48.535472
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -5.956
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: 6
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -107.070045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.070045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.070045 (E_RNA)
where:
Base-Base interactions energy: -52.850
where: short stacking energy: -27.415
Base-Backbone interact. energy: -0.273
local terms energy: -53.947110
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -16.105
flat angles C4'-P-C4' energy: -8.536
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -6.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -203.522916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.522916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.522916 (E_RNA)
where:
Base-Base interactions energy: -136.204
where: short stacking energy: -49.834
Base-Backbone interact. energy: -0.278
local terms energy: -67.041517
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.827
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -10.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -209.003051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.003051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.003051 (E_RNA)
where:
Base-Base interactions energy: -132.817
where: short stacking energy: -58.558
Base-Backbone interact. energy: 0.694
local terms energy: -76.880529
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -17.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -213.139317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.139317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.139317 (E_RNA)
where:
Base-Base interactions energy: -143.542
where: short stacking energy: -56.288
Base-Backbone interact. energy: -1.262
local terms energy: -68.334641
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -12.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -191.520196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.520196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.520196 (E_RNA)
where:
Base-Base interactions energy: -126.774
where: short stacking energy: -66.852
Base-Backbone interact. energy: -0.096
local terms energy: -64.650327
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -2.924
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -180.646947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.646947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.646947 (E_RNA)
where:
Base-Base interactions energy: -114.618
where: short stacking energy: -49.874
Base-Backbone interact. energy: -0.108
local terms energy: -65.920801
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -14.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -147.126950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.126950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.126950 (E_RNA)
where:
Base-Base interactions energy: -79.478
where: short stacking energy: -39.964
Base-Backbone interact. energy: -0.250
local terms energy: -67.398627
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.591
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -10.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -90.983845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.983845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.983845 (E_RNA)
where:
Base-Base interactions energy: -33.294
where: short stacking energy: -33.294
Base-Backbone interact. energy: -0.112
local terms energy: -57.578586
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -9.332
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: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -165.968278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.968278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.968278 (E_RNA)
where:
Base-Base interactions energy: -97.995
where: short stacking energy: -46.886
Base-Backbone interact. energy: -0.112
local terms energy: -67.861804
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -15.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -82.528279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.528279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.528279 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.016
local terms energy: -50.579856
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -9.986
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -3.570
tors. eta vs tors. theta energy: -8.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -74.046704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.046704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.046704 (E_RNA)
where:
Base-Base interactions energy: -19.765
where: short stacking energy: -19.132
Base-Backbone interact. energy: -0.133
local terms energy: -54.148771
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -2.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -230.318273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318273 (E_RNA)
where:
Base-Base interactions energy: -161.398
where: short stacking energy: -68.451
Base-Backbone interact. energy: 0.438
local terms energy: -69.358359
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -9.752
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: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -215.575840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.575840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.575840 (E_RNA)
where:
Base-Base interactions energy: -146.909
where: short stacking energy: -66.579
Base-Backbone interact. energy: -0.009
local terms energy: -68.657815
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -15.589
flat angles P-C4'-P energy: -4.320
tors. eta vs tors. theta energy: -18.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -208.357901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.357901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.357901 (E_RNA)
where:
Base-Base interactions energy: -145.856
where: short stacking energy: -60.862
Base-Backbone interact. energy: -0.510
local terms energy: -61.991235
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -12.335
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -192.662532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662532 (E_RNA)
where:
Base-Base interactions energy: -116.618
where: short stacking energy: -59.952
Base-Backbone interact. energy: -1.130
local terms energy: -74.915126
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -13.767
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -16.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -144.763630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.763630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.763630 (E_RNA)
where:
Base-Base interactions energy: -91.860
where: short stacking energy: -44.696
Base-Backbone interact. energy: -0.242
local terms energy: -52.662181
where:
bonds (distance) C4'-P energy: -9.532
bonds (distance) P-C4' energy: -11.825
flat angles C4'-P-C4' energy: -12.941
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -8.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -174.287252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.287252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.287252 (E_RNA)
where:
Base-Base interactions energy: -101.514
where: short stacking energy: -51.280
Base-Backbone interact. energy: -0.137
local terms energy: -72.636183
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -17.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -177.793992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.793992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.793992 (E_RNA)
where:
Base-Base interactions energy: -110.359
where: short stacking energy: -50.890
Base-Backbone interact. energy: -0.025
local terms energy: -67.410269
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -5.367
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -85.139488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.139488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.139488 (E_RNA)
where:
Base-Base interactions energy: -30.751
where: short stacking energy: -27.599
Base-Backbone interact. energy: 0.918
local terms energy: -55.306455
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -6.828
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: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -73.544511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.544511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.544511 (E_RNA)
where:
Base-Base interactions energy: -26.356
where: short stacking energy: -26.223
Base-Backbone interact. energy: -0.406
local terms energy: -46.782213
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -7.294
tors. eta vs tors. theta energy: 1.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -83.349180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.349180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.349180 (E_RNA)
where:
Base-Base interactions energy: -35.626
where: short stacking energy: -32.558
Base-Backbone interact. energy: -0.075
local terms energy: -47.647532
where:
bonds (distance) C4'-P energy: -9.384
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -8.380
tors. eta vs tors. theta energy: -3.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -226.742782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.742782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.742782 (E_RNA)
where:
Base-Base interactions energy: -150.982
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.013
local terms energy: -75.748634
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -14.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -212.722956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.722956 (E_RNA)
where:
Base-Base interactions energy: -142.173
where: short stacking energy: -66.827
Base-Backbone interact. energy: -0.443
local terms energy: -70.107083
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -14.489
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: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -201.862255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.862255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.862255 (E_RNA)
where:
Base-Base interactions energy: -130.732
where: short stacking energy: -61.941
Base-Backbone interact. energy: -0.052
local terms energy: -71.078557
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -11.348
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: 4, replica: 3
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -199.725585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.725585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.725585 (E_RNA)
where:
Base-Base interactions energy: -128.374
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.172
local terms energy: -71.179403
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -9.002
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -153.088142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.088142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.088142 (E_RNA)
where:
Base-Base interactions energy: -90.274
where: short stacking energy: -43.361
Base-Backbone interact. energy: -0.646
local terms energy: -62.167805
where:
bonds (distance) C4'-P energy: -8.674
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -11.851
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: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -172.703047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.703047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.703047 (E_RNA)
where:
Base-Base interactions energy: -112.806
where: short stacking energy: -49.287
Base-Backbone interact. energy: 1.236
local terms energy: -61.133105
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -11.320
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.609
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: 7, replica: 7
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -157.580199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.580199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.580199 (E_RNA)
where:
Base-Base interactions energy: -93.893
where: short stacking energy: -49.612
Base-Backbone interact. energy: -0.780
local terms energy: -62.906599
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -8.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -100.123499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.123499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.123499 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -35.439
Base-Backbone interact. energy: -0.208
local terms energy: -60.296770
where:
bonds (distance) C4'-P energy: -13.250
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -88.886819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.886819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.886819 (E_RNA)
where:
Base-Base interactions energy: -37.929
where: short stacking energy: -37.929
Base-Backbone interact. energy: 0.106
local terms energy: -51.063820
where:
bonds (distance) C4'-P energy: -4.211
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -13.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -73.606491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.606491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.606491 (E_RNA)
where:
Base-Base interactions energy: -34.114
where: short stacking energy: -24.396
Base-Backbone interact. energy: 0.392
local terms energy: -39.884935
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -9.865
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: 5.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -217.248046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248046 (E_RNA)
where:
Base-Base interactions energy: -148.015
where: short stacking energy: -63.419
Base-Backbone interact. energy: -0.397
local terms energy: -68.835984
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -12.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -226.822938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.822938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.822938 (E_RNA)
where:
Base-Base interactions energy: -152.112
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.005
local terms energy: -74.705811
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -16.057
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -20.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -202.245638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.245638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.245638 (E_RNA)
where:
Base-Base interactions energy: -138.690
where: short stacking energy: -64.068
Base-Backbone interact. energy: -0.679
local terms energy: -62.876879
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -4.187
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: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -184.350326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.350326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.350326 (E_RNA)
where:
Base-Base interactions energy: -117.189
where: short stacking energy: -55.002
Base-Backbone interact. energy: -0.565
local terms energy: -66.595442
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.869
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -182.309783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.309783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.309783 (E_RNA)
where:
Base-Base interactions energy: -125.552
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.145
local terms energy: -56.612592
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -6.539
tors. eta vs tors. theta energy: -11.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -180.546548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.546548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.546548 (E_RNA)
where:
Base-Base interactions energy: -116.488
where: short stacking energy: -52.614
Base-Backbone interact. energy: -0.033
local terms energy: -64.025446
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -3.837
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: 7, replica: 7
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -131.142951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.142951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.142951 (E_RNA)
where:
Base-Base interactions energy: -82.286
where: short stacking energy: -43.657
Base-Backbone interact. energy: -0.065
local terms energy: -48.791577
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -8.017
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -9.094
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: 56
Temperature: 1.250000
Total energy: -77.527044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.527044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.527044 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -27.496
Base-Backbone interact. energy: -0.283
local terms energy: -49.748959
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: 0.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -100.553934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.553934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.553934 (E_RNA)
where:
Base-Base interactions energy: -37.736
where: short stacking energy: -37.736
Base-Backbone interact. energy: -0.003
local terms energy: -62.815377
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -13.525
flat angles P-C4'-P energy: -9.882
tors. eta vs tors. theta energy: -11.071
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: 6
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -75.232450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.232450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.232450 (E_RNA)
where:
Base-Base interactions energy: -19.756
where: short stacking energy: -19.756
Base-Backbone interact. energy: -0.174
local terms energy: -55.303281
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -10.588
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -224.572104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.572104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.572104 (E_RNA)
where:
Base-Base interactions energy: -145.917
where: short stacking energy: -70.230
Base-Backbone interact. energy: -0.370
local terms energy: -78.285147
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -15.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -231.597367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.597367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.597367 (E_RNA)
where:
Base-Base interactions energy: -143.113
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.002
local terms energy: -88.482136
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -14.448
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: 1
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -194.205289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.205289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.205289 (E_RNA)
where:
Base-Base interactions energy: -127.845
where: short stacking energy: -63.472
Base-Backbone interact. energy: 0.049
local terms energy: -66.408489
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -12.454
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -19.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -190.831648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.831648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.831648 (E_RNA)
where:
Base-Base interactions energy: -128.495
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.096
local terms energy: -62.240281
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -10.261
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -187.878619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.878619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.878619 (E_RNA)
where:
Base-Base interactions energy: -118.077
where: short stacking energy: -57.755
Base-Backbone interact. energy: -0.058
local terms energy: -69.743320
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -13.124
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -103.736567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.736567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.736567 (E_RNA)
where:
Base-Base interactions energy: -49.192
where: short stacking energy: -37.311
Base-Backbone interact. energy: -0.078
local terms energy: -54.467123
where:
bonds (distance) C4'-P energy: -9.147
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -128.831888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.831888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.831888 (E_RNA)
where:
Base-Base interactions energy: -78.729
where: short stacking energy: -49.937
Base-Backbone interact. energy: -0.153
local terms energy: -49.950075
where:
bonds (distance) C4'-P energy: -10.849
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -6.334
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -12.802
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: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -87.186929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.186929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.186929 (E_RNA)
where:
Base-Base interactions energy: -31.913
where: short stacking energy: -24.842
Base-Backbone interact. energy: -0.004
local terms energy: -55.270838
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -89.763286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.763286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.763286 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -34.164
Base-Backbone interact. energy: -0.625
local terms energy: -50.226092
where:
bonds (distance) C4'-P energy: -9.804
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -11.361
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -6.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -76.003835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.003835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.003835 (E_RNA)
where:
Base-Base interactions energy: -26.022
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.593
local terms energy: -49.388423
where:
bonds (distance) C4'-P energy: -9.595
bonds (distance) P-C4' energy: -13.269
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -2.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -233.566108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.566108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.566108 (E_RNA)
where:
Base-Base interactions energy: -156.282
where: short stacking energy: -74.528
Base-Backbone interact. energy: 0.857
local terms energy: -78.140948
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -12.191
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -213.975176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.975176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.975176 (E_RNA)
where:
Base-Base interactions energy: -140.179
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.119
local terms energy: -73.676744
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -16.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -209.003978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.003978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.003978 (E_RNA)
where:
Base-Base interactions energy: -137.207
where: short stacking energy: -48.232
Base-Backbone interact. energy: -0.179
local terms energy: -71.618118
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -197.842379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.842379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.842379 (E_RNA)
where:
Base-Base interactions energy: -132.255
where: short stacking energy: -59.280
Base-Backbone interact. energy: -0.165
local terms energy: -65.422752
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -13.316
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: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -188.749929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.749929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.749929 (E_RNA)
where:
Base-Base interactions energy: -125.512
where: short stacking energy: -56.212
Base-Backbone interact. energy: -0.670
local terms energy: -62.567567
where:
bonds (distance) C4'-P energy: -16.566
bonds (distance) P-C4' energy: -10.122
flat angles C4'-P-C4' energy: -14.030
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -12.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -125.242808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.242808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.242808 (E_RNA)
where:
Base-Base interactions energy: -69.612
where: short stacking energy: -40.148
Base-Backbone interact. energy: -0.489
local terms energy: -55.142533
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -3.078
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: 7, replica: 2
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -121.361088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.361088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.361088 (E_RNA)
where:
Base-Base interactions energy: -57.862
where: short stacking energy: -37.543
Base-Backbone interact. energy: -0.107
local terms energy: -63.391641
where:
bonds (distance) C4'-P energy: -13.126
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -10.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -96.195692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.195692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.195692 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.162
local terms energy: -52.741796
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -9.629
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -5.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -98.665361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.665361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.665361 (E_RNA)
where:
Base-Base interactions energy: -44.521
where: short stacking energy: -30.446
Base-Backbone interact. energy: 0.283
local terms energy: -54.426748
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -8.067
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -5.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -82.005385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.005385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.005385 (E_RNA)
where:
Base-Base interactions energy: -30.879
where: short stacking energy: -30.879
Base-Backbone interact. energy: -0.167
local terms energy: -50.959255
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -4.425
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: 10
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -233.771443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.771443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.771443 (E_RNA)
where:
Base-Base interactions energy: -159.224
where: short stacking energy: -75.891
Base-Backbone interact. energy: 1.602
local terms energy: -76.149639
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -13.996
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -19.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -216.671534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.671534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.671534 (E_RNA)
where:
Base-Base interactions energy: -139.014
where: short stacking energy: -62.531
Base-Backbone interact. energy: -0.764
local terms energy: -76.893002
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -17.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -199.268387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.268387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.268387 (E_RNA)
where:
Base-Base interactions energy: -136.054
where: short stacking energy: -53.569
Base-Backbone interact. energy: -0.219
local terms energy: -62.995252
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -10.453
tors. eta vs tors. theta energy: -12.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -189.161960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.161960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.161960 (E_RNA)
where:
Base-Base interactions energy: -120.295
where: short stacking energy: -60.704
Base-Backbone interact. energy: 0.632
local terms energy: -69.498457
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -185.938686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.938686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.938686 (E_RNA)
where:
Base-Base interactions energy: -121.373
where: short stacking energy: -59.126
Base-Backbone interact. energy: -0.020
local terms energy: -64.545001
where:
bonds (distance) C4'-P energy: -10.642
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -13.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -90.104716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.104716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.104716 (E_RNA)
where:
Base-Base interactions energy: -37.692
where: short stacking energy: -32.349
Base-Backbone interact. energy: -0.111
local terms energy: -52.302382
where:
bonds (distance) C4'-P energy: -10.261
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.827
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: 7, replica: 7
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -101.893853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.893853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.893853 (E_RNA)
where:
Base-Base interactions energy: -55.423
where: short stacking energy: -29.424
Base-Backbone interact. energy: -0.356
local terms energy: -46.114099
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -0.384
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: 8, replica: 9
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -96.016897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.016897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.016897 (E_RNA)
where:
Base-Base interactions energy: -45.357
where: short stacking energy: -45.357
Base-Backbone interact. energy: -0.087
local terms energy: -50.572427
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -10.328
flat angles P-C4'-P energy: -3.990
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -95.147691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.147691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.147691 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -35.642
Base-Backbone interact. energy: -0.064
local terms energy: -56.810023
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -5.562
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: 10, replica: 5
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -82.358478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.358478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.358478 (E_RNA)
where:
Base-Base interactions energy: -26.592
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.335
local terms energy: -55.431450
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -14.282
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -5.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -232.158083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.158083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.158083 (E_RNA)
where:
Base-Base interactions energy: -149.663
where: short stacking energy: -74.160
Base-Backbone interact. energy: -0.003
local terms energy: -82.492193
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -15.146
flat angles P-C4'-P energy: -13.786
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: 2, replica: 4
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -216.753311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.753311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.753311 (E_RNA)
where:
Base-Base interactions energy: -142.919
where: short stacking energy: -73.252
Base-Backbone interact. energy: -0.589
local terms energy: -73.245527
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.823
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: 3, replica: 1
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -201.093720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.093720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.093720 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -61.530
Base-Backbone interact. energy: -0.016
local terms energy: -73.716868
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -13.820
tors. eta vs tors. theta energy: -15.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -195.113957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.113957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.113957 (E_RNA)
where:
Base-Base interactions energy: -136.088
where: short stacking energy: -53.831
Base-Backbone interact. energy: -0.184
local terms energy: -58.842073
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -4.586
tors. eta vs tors. theta energy: -11.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -192.413199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.413199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.413199 (E_RNA)
where:
Base-Base interactions energy: -122.476
where: short stacking energy: -60.039
Base-Backbone interact. energy: -0.015
local terms energy: -69.922140
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -17.728
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -105.273512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273512 (E_RNA)
where:
Base-Base interactions energy: -56.081
where: short stacking energy: -28.687
Base-Backbone interact. energy: -0.718
local terms energy: -48.473917
where:
bonds (distance) C4'-P energy: -12.618
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -0.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -88.846960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.846960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.846960 (E_RNA)
where:
Base-Base interactions energy: -34.501
where: short stacking energy: -30.136
Base-Backbone interact. energy: 2.702
local terms energy: -57.047829
where:
bonds (distance) C4'-P energy: -12.427
bonds (distance) P-C4' energy: -15.202
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -4.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -86.740612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.740612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.740612 (E_RNA)
where:
Base-Base interactions energy: -26.377
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.904
local terms energy: -59.459525
where:
bonds (distance) C4'-P energy: -14.665
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -4.474
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: 6
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -96.810173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.810173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.810173 (E_RNA)
where:
Base-Base interactions energy: -55.052
where: short stacking energy: -30.896
Base-Backbone interact. energy: -0.610
local terms energy: -41.148624
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -7.898
flat angles P-C4'-P energy: -1.438
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -79.403162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.403162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.403162 (E_RNA)
where:
Base-Base interactions energy: -30.878
where: short stacking energy: -25.889
Base-Backbone interact. energy: -1.364
local terms energy: -47.160658
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -15.012
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -5.687
tors. eta vs tors. theta energy: -4.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -230.862969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.862969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.862969 (E_RNA)
where:
Base-Base interactions energy: -153.011
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.003
local terms energy: -77.848945
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -17.436
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -220.311447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.311447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.311447 (E_RNA)
where:
Base-Base interactions energy: -146.127
where: short stacking energy: -67.393
Base-Backbone interact. energy: -0.201
local terms energy: -73.983786
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -15.604
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: 1
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -191.165036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.165036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.165036 (E_RNA)
where:
Base-Base interactions energy: -119.918
where: short stacking energy: -53.815
Base-Backbone interact. energy: -0.102
local terms energy: -71.145328
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.058
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -190.927940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.927940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.927940 (E_RNA)
where:
Base-Base interactions energy: -118.783
where: short stacking energy: -62.941
Base-Backbone interact. energy: -0.005
local terms energy: -72.139585
where:
bonds (distance) C4'-P energy: -12.596
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.587
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -191.747706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.747706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.747706 (E_RNA)
where:
Base-Base interactions energy: -121.732
where: short stacking energy: -61.632
Base-Backbone interact. energy: -0.337
local terms energy: -69.678371
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -10.730
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -19.266
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: 2
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -113.828607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.828607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.828607 (E_RNA)
where:
Base-Base interactions energy: -54.382
where: short stacking energy: -43.289
Base-Backbone interact. energy: -0.017
local terms energy: -59.429398
where:
bonds (distance) C4'-P energy: -13.606
bonds (distance) P-C4' energy: -11.127
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -12.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -84.463964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463964 (E_RNA)
where:
Base-Base interactions energy: -25.421
where: short stacking energy: -25.044
Base-Backbone interact. energy: -0.212
local terms energy: -58.831878
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -12.567
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -2.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -93.208153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208153 (E_RNA)
where:
Base-Base interactions energy: -40.496
where: short stacking energy: -38.023
Base-Backbone interact. energy: -0.051
local terms energy: -52.661571
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -11.606
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -8.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -84.870834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.870834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.870834 (E_RNA)
where:
Base-Base interactions energy: -39.183
where: short stacking energy: -30.984
Base-Backbone interact. energy: -0.193
local terms energy: -45.494754
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -74.875150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.875150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.875150 (E_RNA)
where:
Base-Base interactions energy: -26.925
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.575
local terms energy: -47.374792
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -1.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -218.379117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.379117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.379117 (E_RNA)
where:
Base-Base interactions energy: -142.994
where: short stacking energy: -65.452
Base-Backbone interact. energy: 0.027
local terms energy: -75.412466
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -15.449
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: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -228.891502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.891502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.891502 (E_RNA)
where:
Base-Base interactions energy: -147.362
where: short stacking energy: -71.485
Base-Backbone interact. energy: -0.017
local terms energy: -81.512839
where:
bonds (distance) C4'-P energy: -17.460
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -13.240
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: 3, replica: 8
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -198.155076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.155076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.155076 (E_RNA)
where:
Base-Base interactions energy: -122.985
where: short stacking energy: -56.428
Base-Backbone interact. energy: -0.109
local terms energy: -75.061117
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -18.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -195.868470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.868470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.868470 (E_RNA)
where:
Base-Base interactions energy: -122.455
where: short stacking energy: -65.569
Base-Backbone interact. energy: 0.222
local terms energy: -73.635602
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -12.504
flat angles C4'-P-C4' energy: -17.558
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -20.390
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: 3
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -188.159436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.159436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.159436 (E_RNA)
where:
Base-Base interactions energy: -122.250
where: short stacking energy: -57.482
Base-Backbone interact. energy: -0.249
local terms energy: -65.660334
where:
bonds (distance) C4'-P energy: -7.662
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -14.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -114.260474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.260474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.260474 (E_RNA)
where:
Base-Base interactions energy: -64.521
where: short stacking energy: -37.970
Base-Backbone interact. energy: -0.255
local terms energy: -49.484530
where:
bonds (distance) C4'-P energy: -9.874
bonds (distance) P-C4' energy: -13.188
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -8.321
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: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -92.439511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.439511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.439511 (E_RNA)
where:
Base-Base interactions energy: -41.177
where: short stacking energy: -35.581
Base-Backbone interact. energy: -0.099
local terms energy: -51.164200
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -11.285
flat angles C4'-P-C4' energy: -10.375
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -7.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -82.990534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990534 (E_RNA)
where:
Base-Base interactions energy: -34.313
where: short stacking energy: -33.068
Base-Backbone interact. energy: -0.463
local terms energy: -48.214937
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -11.084
tors. eta vs tors. theta energy: 1.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -78.051521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.051521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.051521 (E_RNA)
where:
Base-Base interactions energy: -18.912
where: short stacking energy: -17.866
Base-Backbone interact. energy: 0.336
local terms energy: -59.475275
where:
bonds (distance) C4'-P energy: -13.573
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -6.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -78.655041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.655041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.655041 (E_RNA)
where:
Base-Base interactions energy: -20.465
where: short stacking energy: -14.634
Base-Backbone interact. energy: 0.082
local terms energy: -58.271954
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.941
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: 1, replica: 4
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -214.892745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.892745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.892745 (E_RNA)
where:
Base-Base interactions energy: -140.599
where: short stacking energy: -66.956
Base-Backbone interact. energy: -0.117
local terms energy: -74.176282
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -15.610
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -200.194047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.194047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.194047 (E_RNA)
where:
Base-Base interactions energy: -132.489
where: short stacking energy: -57.599
Base-Backbone interact. energy: -1.780
local terms energy: -65.924367
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -14.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -218.821865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.821865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.821865 (E_RNA)
where:
Base-Base interactions energy: -138.488
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.401
local terms energy: -79.932483
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -22.647
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: 63
Temperature: 1.050000
Total energy: -192.127373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.127373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.127373 (E_RNA)
where:
Base-Base interactions energy: -128.246
where: short stacking energy: -58.323
Base-Backbone interact. energy: -0.393
local terms energy: -63.488502
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -3.825
tors. eta vs tors. theta energy: -14.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -188.930894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.930894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.930894 (E_RNA)
where:
Base-Base interactions energy: -125.103
where: short stacking energy: -57.005
Base-Backbone interact. energy: -0.655
local terms energy: -63.172967
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -12.919
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -14.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -107.027765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.027765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.027765 (E_RNA)
where:
Base-Base interactions energy: -49.256
where: short stacking energy: -24.946
Base-Backbone interact. energy: -0.122
local terms energy: -57.649947
where:
bonds (distance) C4'-P energy: -13.477
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -6.835
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: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -96.224009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.224009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.224009 (E_RNA)
where:
Base-Base interactions energy: -32.143
where: short stacking energy: -31.206
Base-Backbone interact. energy: -0.070
local terms energy: -64.011394
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: -8.938
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: 5
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -84.747121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.747121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.747121 (E_RNA)
where:
Base-Base interactions energy: -33.830
where: short stacking energy: -33.830
Base-Backbone interact. energy: -0.017
local terms energy: -50.899882
where:
bonds (distance) C4'-P energy: -9.007
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -6.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -85.112855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.112855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.112855 (E_RNA)
where:
Base-Base interactions energy: -31.709
where: short stacking energy: -24.213
Base-Backbone interact. energy: -0.965
local terms energy: -52.439102
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -10.905
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: 10, replica: 7
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -78.625044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.625044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.625044 (E_RNA)
where:
Base-Base interactions energy: -25.879
where: short stacking energy: -22.396
Base-Backbone interact. energy: 0.685
local terms energy: -53.431297
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -1.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -218.768478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.768478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.768478 (E_RNA)
where:
Base-Base interactions energy: -143.315
where: short stacking energy: -58.540
Base-Backbone interact. energy: 2.611
local terms energy: -78.065035
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -12.411
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: 2, replica: 8
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -200.360033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.360033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.360033 (E_RNA)
where:
Base-Base interactions energy: -133.451
where: short stacking energy: -66.230
Base-Backbone interact. energy: -0.003
local terms energy: -66.905949
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -14.584
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -5.335
tors. eta vs tors. theta energy: -16.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -220.061423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.061423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.061423 (E_RNA)
where:
Base-Base interactions energy: -143.634
where: short stacking energy: -75.596
Base-Backbone interact. energy: -0.026
local terms energy: -76.401950
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -7.248
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: 4, replica: 3
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -192.817682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.817682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.817682 (E_RNA)
where:
Base-Base interactions energy: -119.424
where: short stacking energy: -55.563
Base-Backbone interact. energy: -0.051
local terms energy: -73.343173
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -16.791
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -180.304805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.304805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.304805 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -46.851
Base-Backbone interact. energy: -0.874
local terms energy: -66.371969
where:
bonds (distance) C4'-P energy: -14.178
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -13.579
flat angles P-C4'-P energy: -8.052
tors. eta vs tors. theta energy: -15.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -106.591993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.591993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.591993 (E_RNA)
where:
Base-Base interactions energy: -52.753
where: short stacking energy: -32.982
Base-Backbone interact. energy: -0.419
local terms energy: -53.419263
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -7.752
flat angles P-C4'-P energy: -6.604
tors. eta vs tors. theta energy: -10.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -104.360318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.360318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.360318 (E_RNA)
where:
Base-Base interactions energy: -50.979
where: short stacking energy: -35.280
Base-Backbone interact. energy: 0.458
local terms energy: -53.838697
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.478
flat angles C4'-P-C4' energy: -14.448
flat angles P-C4'-P energy: -8.415
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: 64
Temperature: 1.250000
Total energy: -110.924245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.924245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.924245 (E_RNA)
where:
Base-Base interactions energy: -47.199
where: short stacking energy: -28.582
Base-Backbone interact. energy: 0.232
local terms energy: -63.957541
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -4.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -100.136098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.136098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.136098 (E_RNA)
where:
Base-Base interactions energy: -52.377
where: short stacking energy: -23.969
Base-Backbone interact. energy: 1.074
local terms energy: -48.833426
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -10.704
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -3.326
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: 7
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -126.583881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.583881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.583881 (E_RNA)
where:
Base-Base interactions energy: -66.330
where: short stacking energy: -45.937
Base-Backbone interact. energy: -0.099
local terms energy: -60.155818
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -5.610
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: 1, replica: 4
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -217.763236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.763236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.763236 (E_RNA)
where:
Base-Base interactions energy: -145.909
where: short stacking energy: -68.502
Base-Backbone interact. energy: -0.228
local terms energy: -71.626127
where:
bonds (distance) C4'-P energy: -13.399
bonds (distance) P-C4' energy: -16.679
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -5.355
tors. eta vs tors. theta energy: -17.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -229.061846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.061846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.061846 (E_RNA)
where:
Base-Base interactions energy: -149.248
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.333
local terms energy: -79.480520
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -17.528
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -19.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -197.037209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.037209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.037209 (E_RNA)
where:
Base-Base interactions energy: -136.090
where: short stacking energy: -68.898
Base-Backbone interact. energy: -0.008
local terms energy: -60.938620
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.716
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -4.636
tors. eta vs tors. theta energy: -14.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -180.708626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.708626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.708626 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -56.539
Base-Backbone interact. energy: -0.031
local terms energy: -63.622409
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -10.901
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -14.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -189.366591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.366591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.366591 (E_RNA)
where:
Base-Base interactions energy: -122.313
where: short stacking energy: -60.152
Base-Backbone interact. energy: 0.020
local terms energy: -67.074374
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -4.598
tors. eta vs tors. theta energy: -15.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -91.633851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.633851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.633851 (E_RNA)
where:
Base-Base interactions energy: -44.015
where: short stacking energy: -36.177
Base-Backbone interact. energy: -0.128
local terms energy: -47.490514
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -10.131
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -6.291
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: 7, replica: 2
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -84.572406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.572406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.572406 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -36.442
Base-Backbone interact. energy: 0.446
local terms energy: -48.576150
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: 3.505
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: 9
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -117.836749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.836749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.836749 (E_RNA)
where:
Base-Base interactions energy: -69.641
where: short stacking energy: -31.410
Base-Backbone interact. energy: -0.418
local terms energy: -47.777786
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -8.981
flat angles C4'-P-C4' energy: -11.017
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -94.463615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.463615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.463615 (E_RNA)
where:
Base-Base interactions energy: -39.029
where: short stacking energy: -39.029
Base-Backbone interact. energy: -0.181
local terms energy: -55.253239
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -10.765
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -6.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -84.626439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.626439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.626439 (E_RNA)
where:
Base-Base interactions energy: -45.019
where: short stacking energy: -32.652
Base-Backbone interact. energy: -0.207
local terms energy: -39.400521
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -5.763
flat angles P-C4'-P energy: -8.618
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: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -227.451141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.451141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.451141 (E_RNA)
where:
Base-Base interactions energy: -155.169
where: short stacking energy: -75.190
Base-Backbone interact. energy: -0.045
local terms energy: -72.236491
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.733
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: 4
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -216.508160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.508160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.508160 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.604
local terms energy: -72.796623
where:
bonds (distance) C4'-P energy: -15.195
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -7.560
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: 3, replica: 1
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -202.490888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.490888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.490888 (E_RNA)
where:
Base-Base interactions energy: -123.087
where: short stacking energy: -60.162
Base-Backbone interact. energy: -0.030
local terms energy: -79.373954
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -20.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -191.439514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.439514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.439514 (E_RNA)
where:
Base-Base interactions energy: -119.557
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.175
local terms energy: -71.707421
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -7.381
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -197.054931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.054931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.054931 (E_RNA)
where:
Base-Base interactions energy: -131.896
where: short stacking energy: -55.311
Base-Backbone interact. energy: 1.411
local terms energy: -66.570703
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -15.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -102.344164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.344164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.344164 (E_RNA)
where:
Base-Base interactions energy: -56.602
where: short stacking energy: -24.503
Base-Backbone interact. energy: -0.571
local terms energy: -45.171586
where:
bonds (distance) C4'-P energy: -12.945
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -5.468
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -2.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -129.128460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.128460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.128460 (E_RNA)
where:
Base-Base interactions energy: -73.081
where: short stacking energy: -36.418
Base-Backbone interact. energy: -0.184
local terms energy: -55.863575
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -13.106
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -6.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -82.675412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.675412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.675412 (E_RNA)
where:
Base-Base interactions energy: -34.596
where: short stacking energy: -21.135
Base-Backbone interact. energy: 0.770
local terms energy: -48.849486
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -14.098
flat angles P-C4'-P energy: -5.433
tors. eta vs tors. theta energy: -0.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -121.562851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.562851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.562851 (E_RNA)
where:
Base-Base interactions energy: -67.658
where: short stacking energy: -30.955
Base-Backbone interact. energy: -0.131
local terms energy: -53.774271
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -17.457
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -7.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -90.229247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229247 (E_RNA)
where:
Base-Base interactions energy: -35.776
where: short stacking energy: -34.038
Base-Backbone interact. energy: -0.013
local terms energy: -54.440563
where:
bonds (distance) C4'-P energy: -10.461
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -9.639
tors. eta vs tors. theta energy: -5.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -231.830388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.830388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.830388 (E_RNA)
where:
Base-Base interactions energy: -155.944
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.019
local terms energy: -75.866817
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -10.411
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: 2, replica: 4
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -212.721255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.721255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.721255 (E_RNA)
where:
Base-Base interactions energy: -144.934
where: short stacking energy: -65.040
Base-Backbone interact. energy: -0.361
local terms energy: -67.426138
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -7.394
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: 1
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -205.869704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.869704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.869704 (E_RNA)
where:
Base-Base interactions energy: -133.957
where: short stacking energy: -56.974
Base-Backbone interact. energy: -0.239
local terms energy: -71.673480
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -11.669
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: -17.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -189.278923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.278923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.278923 (E_RNA)
where:
Base-Base interactions energy: -121.612
where: short stacking energy: -56.753
Base-Backbone interact. energy: -2.056
local terms energy: -65.611704
where:
bonds (distance) C4'-P energy: -10.417
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -12.513
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -189.401988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.401988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.401988 (E_RNA)
where:
Base-Base interactions energy: -120.649
where: short stacking energy: -59.821
Base-Backbone interact. energy: -0.004
local terms energy: -68.749472
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.119
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -135.564172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.564172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.564172 (E_RNA)
where:
Base-Base interactions energy: -80.701
where: short stacking energy: -50.723
Base-Backbone interact. energy: -0.055
local terms energy: -54.808222
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.724
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -92.881695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.881695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.881695 (E_RNA)
where:
Base-Base interactions energy: -40.764
where: short stacking energy: -38.200
Base-Backbone interact. energy: 0.682
local terms energy: -52.799756
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -9.045
tors. eta vs tors. theta energy: -3.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -142.077493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.077493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.077493 (E_RNA)
where:
Base-Base interactions energy: -88.794
where: short stacking energy: -44.309
Base-Backbone interact. energy: 0.317
local terms energy: -53.599992
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -6.729
tors. eta vs tors. theta energy: -7.396
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: 2
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -84.144355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.144355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.144355 (E_RNA)
where:
Base-Base interactions energy: -38.561
where: short stacking energy: -30.878
Base-Backbone interact. energy: -0.039
local terms energy: -45.543946
where:
bonds (distance) C4'-P energy: -6.519
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -76.749223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.749223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.749223 (E_RNA)
where:
Base-Base interactions energy: -39.448
where: short stacking energy: -39.448
Base-Backbone interact. energy: -0.209
local terms energy: -37.091711
where:
bonds (distance) C4'-P energy: -10.521
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -0.891
tors. eta vs tors. theta energy: -0.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -226.616669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.616669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.616669 (E_RNA)
where:
Base-Base interactions energy: -147.315
where: short stacking energy: -72.472
Base-Backbone interact. energy: -0.005
local terms energy: -79.297140
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -20.611
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: 2, replica: 4
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -220.246636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.246636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.246636 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.065
local terms energy: -72.928338
where:
bonds (distance) C4'-P energy: -15.079
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -15.521
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -15.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -196.232113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.232113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.232113 (E_RNA)
where:
Base-Base interactions energy: -131.307
where: short stacking energy: -48.994
Base-Backbone interact. energy: -0.172
local terms energy: -64.752688
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -8.111
tors. eta vs tors. theta energy: -14.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -208.121060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.121060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.121060 (E_RNA)
where:
Base-Base interactions energy: -135.193
where: short stacking energy: -67.578
Base-Backbone interact. energy: 0.071
local terms energy: -72.999191
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -8.781
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: 5, replica: 8
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -188.513770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.513770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.513770 (E_RNA)
where:
Base-Base interactions energy: -129.687
where: short stacking energy: -50.584
Base-Backbone interact. energy: -0.785
local terms energy: -58.041124
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -8.693
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: 6, replica: 9
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -132.512520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.512520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.512520 (E_RNA)
where:
Base-Base interactions energy: -77.791
where: short stacking energy: -30.694
Base-Backbone interact. energy: 0.445
local terms energy: -55.166802
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -2.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -133.229148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.229148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.229148 (E_RNA)
where:
Base-Base interactions energy: -66.792
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.213
local terms energy: -66.224395
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -11.991
tors. eta vs tors. theta energy: -11.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -91.605129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.605129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.605129 (E_RNA)
where:
Base-Base interactions energy: -47.645
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.161
local terms energy: -43.799210
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -9.041
flat angles C4'-P-C4' energy: -10.831
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -1.182
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: 6
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -94.008918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.008918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.008918 (E_RNA)
where:
Base-Base interactions energy: -39.995
where: short stacking energy: -39.995
Base-Backbone interact. energy: -0.133
local terms energy: -53.881155
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -11.943
flat angles P-C4'-P energy: -9.893
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: 10, replica: 2
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -75.376153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.376153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.376153 (E_RNA)
where:
Base-Base interactions energy: -25.556
where: short stacking energy: -23.205
Base-Backbone interact. energy: -0.373
local terms energy: -49.447077
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -5.045
tors. eta vs tors. theta energy: 1.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -226.143209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.143209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.143209 (E_RNA)
where:
Base-Base interactions energy: -146.057
where: short stacking energy: -71.995
Base-Backbone interact. energy: -0.000
local terms energy: -80.085665
where:
bonds (distance) C4'-P energy: -15.709
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -19.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -210.246987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.246987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.246987 (E_RNA)
where:
Base-Base interactions energy: -138.630
where: short stacking energy: -55.630
Base-Backbone interact. energy: -0.672
local terms energy: -70.944990
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -14.830
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: 3, replica: 3
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -201.574202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.574202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.574202 (E_RNA)
where:
Base-Base interactions energy: -127.736
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.009
local terms energy: -73.829624
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -196.275176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.275176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.275176 (E_RNA)
where:
Base-Base interactions energy: -128.934
where: short stacking energy: -61.607
Base-Backbone interact. energy: -0.024
local terms energy: -67.316978
where:
bonds (distance) C4'-P energy: -9.848
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -190.586277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.586277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.586277 (E_RNA)
where:
Base-Base interactions energy: -128.495
where: short stacking energy: -61.385
Base-Backbone interact. energy: -0.100
local terms energy: -61.991950
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -5.441
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -141.769015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.769015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.769015 (E_RNA)
where:
Base-Base interactions energy: -88.278
where: short stacking energy: -48.315
Base-Backbone interact. energy: -0.308
local terms energy: -53.182655
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -8.220
flat angles C4'-P-C4' energy: -11.007
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -9.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -142.849089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.849089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.849089 (E_RNA)
where:
Base-Base interactions energy: -87.993
where: short stacking energy: -49.485
Base-Backbone interact. energy: -0.008
local terms energy: -54.848126
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -10.149
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -8.383
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: 5
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -91.595430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.595430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.595430 (E_RNA)
where:
Base-Base interactions energy: -33.471
where: short stacking energy: -33.143
Base-Backbone interact. energy: -0.372
local terms energy: -57.752847
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -90.469267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.469267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.469267 (E_RNA)
where:
Base-Base interactions energy: -38.985
where: short stacking energy: -27.245
Base-Backbone interact. energy: 0.112
local terms energy: -51.596462
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -11.191
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: 10, replica: 2
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -68.948749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.948749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.948749 (E_RNA)
where:
Base-Base interactions energy: -25.935
where: short stacking energy: -21.049
Base-Backbone interact. energy: 2.647
local terms energy: -45.660045
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -8.836
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: 2.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -224.592532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.592532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.592532 (E_RNA)
where:
Base-Base interactions energy: -148.859
where: short stacking energy: -62.612
Base-Backbone interact. energy: -0.600
local terms energy: -75.133110
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -13.882
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -222.560696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.560696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.560696 (E_RNA)
where:
Base-Base interactions energy: -147.049
where: short stacking energy: -67.173
Base-Backbone interact. energy: -0.639
local terms energy: -74.872941
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -16.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -187.906326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906326 (E_RNA)
where:
Base-Base interactions energy: -122.979
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.241
local terms energy: -64.686816
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.088
flat angles P-C4'-P energy: -7.298
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: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -192.069720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.069720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.069720 (E_RNA)
where:
Base-Base interactions energy: -121.380
where: short stacking energy: -62.303
Base-Backbone interact. energy: -0.060
local terms energy: -70.630043
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -14.286
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -10.080
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: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -164.716942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.716942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.716942 (E_RNA)
where:
Base-Base interactions energy: -105.769
where: short stacking energy: -44.603
Base-Backbone interact. energy: 1.322
local terms energy: -60.270018
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -11.985
tors. eta vs tors. theta energy: -10.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -185.335221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.335221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.335221 (E_RNA)
where:
Base-Base interactions energy: -116.472
where: short stacking energy: -53.117
Base-Backbone interact. energy: 0.469
local terms energy: -69.332203
where:
bonds (distance) C4'-P energy: -13.841
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -17.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -129.278515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.278515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.278515 (E_RNA)
where:
Base-Base interactions energy: -75.959
where: short stacking energy: -42.622
Base-Backbone interact. energy: -0.402
local terms energy: -52.918020
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -4.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -77.316452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.316452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.316452 (E_RNA)
where:
Base-Base interactions energy: -22.818
where: short stacking energy: -22.818
Base-Backbone interact. energy: -0.171
local terms energy: -54.327433
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.260
flat angles C4'-P-C4' energy: -13.048
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -87.959339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.959339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.959339 (E_RNA)
where:
Base-Base interactions energy: -43.272
where: short stacking energy: -11.276
Base-Backbone interact. energy: 1.172
local terms energy: -45.859972
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: 2.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -105.186304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.186304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.186304 (E_RNA)
where:
Base-Base interactions energy: -62.613
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.362
local terms energy: -42.210835
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -5.309
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: 71
Temperature: 0.900000
Total energy: -221.698261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.698261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.698261 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -66.569
Base-Backbone interact. energy: -0.920
local terms energy: -75.566828
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -18.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -228.474684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.474684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.474684 (E_RNA)
where:
Base-Base interactions energy: -150.818
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.068
local terms energy: -77.588477
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -10.650
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -185.231297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.231297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.231297 (E_RNA)
where:
Base-Base interactions energy: -118.689
where: short stacking energy: -58.421
Base-Backbone interact. energy: -0.094
local terms energy: -66.449057
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.609
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: 4, replica: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -160.280319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.280319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.280319 (E_RNA)
where:
Base-Base interactions energy: -112.221
where: short stacking energy: -48.070
Base-Backbone interact. energy: -0.033
local terms energy: -48.026055
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -8.452
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -6.291
tors. eta vs tors. theta energy: -8.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -177.108626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.108626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.108626 (E_RNA)
where:
Base-Base interactions energy: -116.294
where: short stacking energy: -60.380
Base-Backbone interact. energy: -0.091
local terms energy: -60.722748
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -12.299
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -135.687079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.687079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.687079 (E_RNA)
where:
Base-Base interactions energy: -74.257
where: short stacking energy: -40.441
Base-Backbone interact. energy: -0.829
local terms energy: -60.601173
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -9.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -190.718013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.718013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.718013 (E_RNA)
where:
Base-Base interactions energy: -122.729
where: short stacking energy: -49.832
Base-Backbone interact. energy: 0.407
local terms energy: -68.395187
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -14.544
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -9.284
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: 8, replica: 2
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -162.327004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.327004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.327004 (E_RNA)
where:
Base-Base interactions energy: -101.874
where: short stacking energy: -42.201
Base-Backbone interact. energy: -0.060
local terms energy: -60.392902
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: -10.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -88.023067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023067 (E_RNA)
where:
Base-Base interactions energy: -40.182
where: short stacking energy: -34.569
Base-Backbone interact. energy: -0.161
local terms energy: -47.679909
where:
bonds (distance) C4'-P energy: -9.926
bonds (distance) P-C4' energy: -12.161
flat angles C4'-P-C4' energy: -11.634
flat angles P-C4'-P energy: -5.046
tors. eta vs tors. theta energy: -8.913
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: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -94.060727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.060727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.060727 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -34.754
Base-Backbone interact. energy: -0.901
local terms energy: -57.942314
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -5.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -227.669055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.669055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.669055 (E_RNA)
where:
Base-Base interactions energy: -146.588
where: short stacking energy: -71.542
Base-Backbone interact. energy: -0.001
local terms energy: -81.079894
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -13.789
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -211.878374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.878374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.878374 (E_RNA)
where:
Base-Base interactions energy: -135.848
where: short stacking energy: -62.127
Base-Backbone interact. energy: -0.483
local terms energy: -75.547734
where:
bonds (distance) C4'-P energy: -12.079
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -16.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -189.448646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.448646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.448646 (E_RNA)
where:
Base-Base interactions energy: -118.536
where: short stacking energy: -59.205
Base-Backbone interact. energy: -0.003
local terms energy: -70.908761
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.396
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -13.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -155.812858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.812858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.812858 (E_RNA)
where:
Base-Base interactions energy: -85.808
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.077
local terms energy: -69.927945
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -13.958
tors. eta vs tors. theta energy: -15.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -181.819162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.819162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.819162 (E_RNA)
where:
Base-Base interactions energy: -116.764
where: short stacking energy: -48.704
Base-Backbone interact. energy: -0.685
local terms energy: -64.370027
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -11.590
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.075
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: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -116.688142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.688142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.688142 (E_RNA)
where:
Base-Base interactions energy: -63.403
where: short stacking energy: -40.386
Base-Backbone interact. energy: -0.677
local terms energy: -52.607842
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -3.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -167.776743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.776743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.776743 (E_RNA)
where:
Base-Base interactions energy: -109.279
where: short stacking energy: -47.939
Base-Backbone interact. energy: -0.075
local terms energy: -58.423094
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -10.447
tors. eta vs tors. theta energy: -10.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -168.205704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.205704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.205704 (E_RNA)
where:
Base-Base interactions energy: -111.414
where: short stacking energy: -57.117
Base-Backbone interact. energy: -0.116
local terms energy: -56.675928
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -8.983
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -9.330
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: 6
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -82.314566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.314566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.314566 (E_RNA)
where:
Base-Base interactions energy: -30.725
where: short stacking energy: -29.025
Base-Backbone interact. energy: -1.179
local terms energy: -50.410907
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -12.284
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -2.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -73.937349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.937349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.937349 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -20.925
Base-Backbone interact. energy: -0.204
local terms energy: -42.687015
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -0.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -223.691743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.691743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.691743 (E_RNA)
where:
Base-Base interactions energy: -143.513
where: short stacking energy: -70.979
Base-Backbone interact. energy: -0.010
local terms energy: -80.168599
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -21.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -212.356166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.356166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.356166 (E_RNA)
where:
Base-Base interactions energy: -143.798
where: short stacking energy: -55.836
Base-Backbone interact. energy: -0.300
local terms energy: -68.258403
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -14.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -192.885542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.885542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.885542 (E_RNA)
where:
Base-Base interactions energy: -127.992
where: short stacking energy: -61.700
Base-Backbone interact. energy: 0.994
local terms energy: -65.888034
where:
bonds (distance) C4'-P energy: -13.172
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -13.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -193.231705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.231705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.231705 (E_RNA)
where:
Base-Base interactions energy: -125.323
where: short stacking energy: -56.823
Base-Backbone interact. energy: -0.290
local terms energy: -67.619696
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.783
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -144.955241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.955241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.955241 (E_RNA)
where:
Base-Base interactions energy: -87.841
where: short stacking energy: -35.118
Base-Backbone interact. energy: -0.245
local terms energy: -56.868800
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -13.058
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -8.684
tors. eta vs tors. theta energy: -4.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -163.807673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.807673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.807673 (E_RNA)
where:
Base-Base interactions energy: -102.941
where: short stacking energy: -49.127
Base-Backbone interact. energy: -0.193
local terms energy: -60.673558
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -13.914
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -10.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -107.669391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.669391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.669391 (E_RNA)
where:
Base-Base interactions energy: -57.440
where: short stacking energy: -34.223
Base-Backbone interact. energy: 0.055
local terms energy: -50.284393
where:
bonds (distance) C4'-P energy: -7.673
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -6.089
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: 1
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -169.650627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.650627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.650627 (E_RNA)
where:
Base-Base interactions energy: -113.630
where: short stacking energy: -54.711
Base-Backbone interact. energy: -0.726
local terms energy: -55.294103
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -5.454
tors. eta vs tors. theta energy: -14.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -93.353243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353243 (E_RNA)
where:
Base-Base interactions energy: -43.928
where: short stacking energy: -14.492
Base-Backbone interact. energy: 0.286
local terms energy: -49.711104
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -13.490
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -1.263
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: 10, replica: 5
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -81.979232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.979232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.979232 (E_RNA)
where:
Base-Base interactions energy: -33.632
where: short stacking energy: -19.478
Base-Backbone interact. energy: -0.109
local terms energy: -48.238231
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -224.252804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.252804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.252804 (E_RNA)
where:
Base-Base interactions energy: -163.125
where: short stacking energy: -56.930
Base-Backbone interact. energy: 0.472
local terms energy: -61.600480
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -7.447
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: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -223.181715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.181715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.181715 (E_RNA)
where:
Base-Base interactions energy: -154.756
where: short stacking energy: -77.760
Base-Backbone interact. energy: -0.030
local terms energy: -68.396532
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -15.634
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -20.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -190.404081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.404081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.404081 (E_RNA)
where:
Base-Base interactions energy: -116.535
where: short stacking energy: -50.061
Base-Backbone interact. energy: -0.037
local terms energy: -73.832515
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -9.735
tors. eta vs tors. theta energy: -15.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -186.385698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.385698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.385698 (E_RNA)
where:
Base-Base interactions energy: -119.132
where: short stacking energy: -53.857
Base-Backbone interact. energy: -0.172
local terms energy: -67.081633
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -13.683
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -10.585
tors. eta vs tors. theta energy: -9.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -173.089692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.089692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.089692 (E_RNA)
where:
Base-Base interactions energy: -110.911
where: short stacking energy: -56.523
Base-Backbone interact. energy: -0.402
local terms energy: -61.776607
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -10.079
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -9.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -158.189687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.189687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.189687 (E_RNA)
where:
Base-Base interactions energy: -97.925
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.097
local terms energy: -60.167549
where:
bonds (distance) C4'-P energy: -10.613
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -10.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -174.222749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.222749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.222749 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -47.264
Base-Backbone interact. energy: -0.099
local terms energy: -64.386529
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.378
tors. eta vs tors. theta energy: -10.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -83.492297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.492297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.492297 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -30.957
Base-Backbone interact. energy: -0.545
local terms energy: -52.420433
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -4.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -80.864990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.864990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.864990 (E_RNA)
where:
Base-Base interactions energy: -27.878
where: short stacking energy: -26.160
Base-Backbone interact. energy: -0.609
local terms energy: -52.378721
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -10.194
flat angles C4'-P-C4' energy: -12.792
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -74.978463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.978463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.978463 (E_RNA)
where:
Base-Base interactions energy: -28.911
where: short stacking energy: -24.963
Base-Backbone interact. energy: -0.996
local terms energy: -45.072193
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -10.347
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -6.394
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: 75
Temperature: 0.900000
Total energy: -232.323115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.323115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.323115 (E_RNA)
where:
Base-Base interactions energy: -159.911
where: short stacking energy: -71.676
Base-Backbone interact. energy: -0.487
local terms energy: -71.924730
where:
bonds (distance) C4'-P energy: -9.304
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -233.467343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.467343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.467343 (E_RNA)
where:
Base-Base interactions energy: -159.038
where: short stacking energy: -73.464
Base-Backbone interact. energy: -0.041
local terms energy: -74.388940
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -8.612
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: 3, replica: 8
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -198.789291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.789291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.789291 (E_RNA)
where:
Base-Base interactions energy: -129.585
where: short stacking energy: -65.916
Base-Backbone interact. energy: -0.010
local terms energy: -69.194797
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -13.160
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -18.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -201.786619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.786619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.786619 (E_RNA)
where:
Base-Base interactions energy: -134.384
where: short stacking energy: -72.312
Base-Backbone interact. energy: -0.083
local terms energy: -67.319780
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -5.149
tors. eta vs tors. theta energy: -15.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -186.331979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.331979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.331979 (E_RNA)
where:
Base-Base interactions energy: -117.258
where: short stacking energy: -59.039
Base-Backbone interact. energy: -0.005
local terms energy: -69.068742
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -13.277
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -15.522
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: 75
Temperature: 1.150000
Total energy: -181.408666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.408666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.408666 (E_RNA)
where:
Base-Base interactions energy: -116.324
where: short stacking energy: -47.431
Base-Backbone interact. energy: -0.164
local terms energy: -64.920536
where:
bonds (distance) C4'-P energy: -13.776
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -9.789
tors. eta vs tors. theta energy: -11.462
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: 7
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -147.708878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.708878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.708878 (E_RNA)
where:
Base-Base interactions energy: -95.972
where: short stacking energy: -44.514
Base-Backbone interact. energy: -0.099
local terms energy: -51.637798
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -10.777
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -0.469
tors. eta vs tors. theta energy: -11.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -93.147932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.147932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.147932 (E_RNA)
where:
Base-Base interactions energy: -46.269
where: short stacking energy: -33.330
Base-Backbone interact. energy: -1.793
local terms energy: -45.085388
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -8.060
tors. eta vs tors. theta energy: -0.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -92.747804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.747804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.747804 (E_RNA)
where:
Base-Base interactions energy: -42.629
where: short stacking energy: -35.627
Base-Backbone interact. energy: 1.435
local terms energy: -51.553623
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -10.470
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: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -87.285457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.285457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.285457 (E_RNA)
where:
Base-Base interactions energy: -36.461
where: short stacking energy: -30.625
Base-Backbone interact. energy: 2.057
local terms energy: -52.881670
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -8.892
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -5.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -227.056025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.056025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.056025 (E_RNA)
where:
Base-Base interactions energy: -158.125
where: short stacking energy: -64.515
Base-Backbone interact. energy: 1.084
local terms energy: -70.015484
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -6.315
tors. eta vs tors. theta energy: -16.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -225.619269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.619269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.619269 (E_RNA)
where:
Base-Base interactions energy: -148.394
where: short stacking energy: -72.598
Base-Backbone interact. energy: -0.584
local terms energy: -76.641970
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.087
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: 3
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -186.771791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.771791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.771791 (E_RNA)
where:
Base-Base interactions energy: -130.002
where: short stacking energy: -62.318
Base-Backbone interact. energy: -0.149
local terms energy: -56.621348
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -11.329
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -9.857
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: 76
Temperature: 1.050000
Total energy: -197.227603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.227603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.227603 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -63.364
Base-Backbone interact. energy: -0.012
local terms energy: -62.904159
where:
bonds (distance) C4'-P energy: -10.720
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -11.391
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: 5, replica: 1
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -183.923223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.923223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.923223 (E_RNA)
where:
Base-Base interactions energy: -122.132
where: short stacking energy: -54.442
Base-Backbone interact. energy: -0.011
local terms energy: -61.780419
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -11.123
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -188.569239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.569239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.569239 (E_RNA)
where:
Base-Base interactions energy: -122.841
where: short stacking energy: -53.062
Base-Backbone interact. energy: 1.357
local terms energy: -67.085039
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -13.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -90.711569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.711569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.711569 (E_RNA)
where:
Base-Base interactions energy: -38.417
where: short stacking energy: -35.723
Base-Backbone interact. energy: -1.864
local terms energy: -50.430638
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -10.175
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: 8, replica: 9
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -87.096543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.096543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.096543 (E_RNA)
where:
Base-Base interactions energy: -40.543
where: short stacking energy: -25.175
Base-Backbone interact. energy: -0.118
local terms energy: -46.435846
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -10.028
flat angles C4'-P-C4' energy: -9.919
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -4.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -81.998284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.998284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.998284 (E_RNA)
where:
Base-Base interactions energy: -23.572
where: short stacking energy: -23.563
Base-Backbone interact. energy: -0.067
local terms energy: -58.359366
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.087
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -8.581
tors. eta vs tors. theta energy: -4.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -89.448842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.448842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.448842 (E_RNA)
where:
Base-Base interactions energy: -45.858
where: short stacking energy: -23.031
Base-Backbone interact. energy: -0.506
local terms energy: -43.085509
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -10.031
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -0.282
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: 4
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -219.611773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.611773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.611773 (E_RNA)
where:
Base-Base interactions energy: -148.562
where: short stacking energy: -58.981
Base-Backbone interact. energy: -1.184
local terms energy: -69.866162
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -11.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -221.021886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.021886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.021886 (E_RNA)
where:
Base-Base interactions energy: -145.150
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.516
local terms energy: -75.356063
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.033
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -11.250
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: 3, replica: 3
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -183.460439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.460439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.460439 (E_RNA)
where:
Base-Base interactions energy: -124.457
where: short stacking energy: -60.082
Base-Backbone interact. energy: -0.174
local terms energy: -58.829655
where:
bonds (distance) C4'-P energy: -5.340
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -11.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -182.067480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.067480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.067480 (E_RNA)
where:
Base-Base interactions energy: -120.407
where: short stacking energy: -46.116
Base-Backbone interact. energy: -0.594
local terms energy: -61.066490
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -9.699
flat angles P-C4'-P energy: -11.923
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: 5, replica: 1
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -175.964259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.964259 (E_RNA)
where:
Base-Base interactions energy: -111.605
where: short stacking energy: -49.735
Base-Backbone interact. energy: -0.052
local terms energy: -64.306910
where:
bonds (distance) C4'-P energy: -13.159
bonds (distance) P-C4' energy: -14.382
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -12.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -180.971080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971080 (E_RNA)
where:
Base-Base interactions energy: -116.679
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.071
local terms energy: -64.221286
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -12.116
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -88.753519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.753519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.753519 (E_RNA)
where:
Base-Base interactions energy: -40.200
where: short stacking energy: -40.200
Base-Backbone interact. energy: -0.228
local terms energy: -48.324863
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -12.479
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -6.114
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: 8, replica: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -86.917255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917255 (E_RNA)
where:
Base-Base interactions energy: -34.082
where: short stacking energy: -26.944
Base-Backbone interact. energy: -0.072
local terms energy: -52.762687
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -7.082
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -84.863838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.863838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.863838 (E_RNA)
where:
Base-Base interactions energy: -33.176
where: short stacking energy: -33.176
Base-Backbone interact. energy: -0.100
local terms energy: -51.587854
where:
bonds (distance) C4'-P energy: -12.775
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -8.389
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -6.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -85.026653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.026653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.026653 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.626
local terms energy: -54.779711
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -10.857
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: 10
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -228.433750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.433750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.433750 (E_RNA)
where:
Base-Base interactions energy: -153.253
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.005
local terms energy: -75.176391
where:
bonds (distance) C4'-P energy: -11.526
bonds (distance) P-C4' energy: -13.240
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -22.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -213.427482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.427482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.427482 (E_RNA)
where:
Base-Base interactions energy: -146.290
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.215
local terms energy: -66.922609
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -15.072
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -12.988
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: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -192.157584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.157584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.157584 (E_RNA)
where:
Base-Base interactions energy: -126.705
where: short stacking energy: -52.995
Base-Backbone interact. energy: -0.383
local terms energy: -65.069880
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -12.425
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: 8
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -192.459259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.459259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.459259 (E_RNA)
where:
Base-Base interactions energy: -129.342
where: short stacking energy: -55.161
Base-Backbone interact. energy: -0.350
local terms energy: -62.767328
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -7.017
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: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -190.656096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.656096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.656096 (E_RNA)
where:
Base-Base interactions energy: -125.207
where: short stacking energy: -49.469
Base-Backbone interact. energy: -0.948
local terms energy: -64.501498
where:
bonds (distance) C4'-P energy: -15.567
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -12.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -181.570990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.570990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.570990 (E_RNA)
where:
Base-Base interactions energy: -112.225
where: short stacking energy: -49.926
Base-Backbone interact. energy: -0.065
local terms energy: -69.280944
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -15.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -86.932808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.932808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.932808 (E_RNA)
where:
Base-Base interactions energy: -33.328
where: short stacking energy: -29.714
Base-Backbone interact. energy: 0.224
local terms energy: -53.829396
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -4.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -93.664669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.664669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.664669 (E_RNA)
where:
Base-Base interactions energy: -46.005
where: short stacking energy: -35.157
Base-Backbone interact. energy: 0.591
local terms energy: -48.250784
where:
bonds (distance) C4'-P energy: -7.268
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -6.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -97.564848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.564848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.564848 (E_RNA)
where:
Base-Base interactions energy: -39.442
where: short stacking energy: -39.442
Base-Backbone interact. energy: -0.080
local terms energy: -58.042712
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -14.098
flat angles C4'-P-C4' energy: -10.251
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -8.852
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: 10, replica: 9
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -78.005586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.005586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.005586 (E_RNA)
where:
Base-Base interactions energy: -25.370
where: short stacking energy: -19.012
Base-Backbone interact. energy: -0.187
local terms energy: -52.449105
where:
bonds (distance) C4'-P energy: -12.691
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -3.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -227.035852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.035852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035852 (E_RNA)
where:
Base-Base interactions energy: -156.722
where: short stacking energy: -73.296
Base-Backbone interact. energy: -0.001
local terms energy: -70.313229
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.260
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -202.297020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.297020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.297020 (E_RNA)
where:
Base-Base interactions energy: -140.485
where: short stacking energy: -54.387
Base-Backbone interact. energy: 0.747
local terms energy: -62.559334
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -10.633
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -11.470
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: 4
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -217.687431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.687431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.687431 (E_RNA)
where:
Base-Base interactions energy: -156.120
where: short stacking energy: -59.522
Base-Backbone interact. energy: -0.019
local terms energy: -61.548263
where:
bonds (distance) C4'-P energy: -11.052
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -12.248
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -13.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -198.165343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.165343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.165343 (E_RNA)
where:
Base-Base interactions energy: -128.688
where: short stacking energy: -58.723
Base-Backbone interact. energy: -0.006
local terms energy: -69.471473
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -189.754829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.754829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.754829 (E_RNA)
where:
Base-Base interactions energy: -120.347
where: short stacking energy: -53.665
Base-Backbone interact. energy: -0.001
local terms energy: -69.406775
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.626
tors. eta vs tors. theta energy: -17.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -176.004742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.004742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.004742 (E_RNA)
where:
Base-Base interactions energy: -113.183
where: short stacking energy: -45.673
Base-Backbone interact. energy: -0.175
local terms energy: -62.646686
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -10.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -96.286553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.286553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.286553 (E_RNA)
where:
Base-Base interactions energy: -42.297
where: short stacking energy: -35.994
Base-Backbone interact. energy: -0.083
local terms energy: -53.906765
where:
bonds (distance) C4'-P energy: -8.293
bonds (distance) P-C4' energy: -12.371
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -12.397
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: 8, replica: 7
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -78.176418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.176418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.176418 (E_RNA)
where:
Base-Base interactions energy: -28.434
where: short stacking energy: -24.120
Base-Backbone interact. energy: -0.202
local terms energy: -49.540206
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -15.147
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -1.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -76.950103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.950103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.950103 (E_RNA)
where:
Base-Base interactions energy: -38.155
where: short stacking energy: -21.019
Base-Backbone interact. energy: -0.149
local terms energy: -38.646213
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: 0.720
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: 9
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -79.695726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.695726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.695726 (E_RNA)
where:
Base-Base interactions energy: -29.562
where: short stacking energy: -26.931
Base-Backbone interact. energy: -0.310
local terms energy: -49.823380
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -208.891919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.891919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.891919 (E_RNA)
where:
Base-Base interactions energy: -141.911
where: short stacking energy: -55.202
Base-Backbone interact. energy: -0.033
local terms energy: -66.948197
where:
bonds (distance) C4'-P energy: -15.705
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -7.485
tors. eta vs tors. theta energy: -14.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -226.400657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.400657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.400657 (E_RNA)
where:
Base-Base interactions energy: -152.439
where: short stacking energy: -71.205
Base-Backbone interact. energy: -0.016
local terms energy: -73.945553
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -11.992
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -20.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -190.087433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.087433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.087433 (E_RNA)
where:
Base-Base interactions energy: -121.465
where: short stacking energy: -61.259
Base-Backbone interact. energy: 0.704
local terms energy: -69.326380
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -14.462
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: 4, replica: 4
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -195.619517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.619517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.619517 (E_RNA)
where:
Base-Base interactions energy: -127.113
where: short stacking energy: -50.019
Base-Backbone interact. energy: -0.447
local terms energy: -68.059513
where:
bonds (distance) C4'-P energy: -12.824
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -9.645
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: 8
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -180.783822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.783822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.783822 (E_RNA)
where:
Base-Base interactions energy: -116.714
where: short stacking energy: -56.852
Base-Backbone interact. energy: -0.007
local terms energy: -64.063777
where:
bonds (distance) C4'-P energy: -9.664
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -187.886388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.886388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.886388 (E_RNA)
where:
Base-Base interactions energy: -112.784
where: short stacking energy: -53.522
Base-Backbone interact. energy: -0.036
local terms energy: -75.066466
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -17.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -108.936761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.936761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.936761 (E_RNA)
where:
Base-Base interactions energy: -56.224
where: short stacking energy: -35.275
Base-Backbone interact. energy: -0.130
local terms energy: -52.582532
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -7.851
flat angles P-C4'-P energy: -8.941
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: 7
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -90.030453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.030453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.030453 (E_RNA)
where:
Base-Base interactions energy: -35.676
where: short stacking energy: -35.676
Base-Backbone interact. energy: -0.790
local terms energy: -53.564833
where:
bonds (distance) C4'-P energy: -9.215
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -105.516352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.516352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.516352 (E_RNA)
where:
Base-Base interactions energy: -46.342
where: short stacking energy: -33.055
Base-Backbone interact. energy: -0.071
local terms energy: -59.103207
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -9.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -89.924628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.924628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.924628 (E_RNA)
where:
Base-Base interactions energy: -43.223
where: short stacking energy: -29.905
Base-Backbone interact. energy: -0.186
local terms energy: -46.515889
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -4.993
tors. eta vs tors. theta energy: -0.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -194.497883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.497883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.497883 (E_RNA)
where:
Base-Base interactions energy: -129.077
where: short stacking energy: -57.729
Base-Backbone interact. energy: -0.280
local terms energy: -65.141191
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -221.545430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.545430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.545430 (E_RNA)
where:
Base-Base interactions energy: -142.814
where: short stacking energy: -72.201
Base-Backbone interact. energy: -0.967
local terms energy: -77.765145
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -17.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -193.508626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.508626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.508626 (E_RNA)
where:
Base-Base interactions energy: -128.580
where: short stacking energy: -61.156
Base-Backbone interact. energy: -0.009
local terms energy: -64.919074
where:
bonds (distance) C4'-P energy: -10.923
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -6.192
tors. eta vs tors. theta energy: -15.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -202.346309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.346309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.346309 (E_RNA)
where:
Base-Base interactions energy: -138.415
where: short stacking energy: -53.655
Base-Backbone interact. energy: -0.182
local terms energy: -63.748726
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -8.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -184.409435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.409435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.409435 (E_RNA)
where:
Base-Base interactions energy: -117.526
where: short stacking energy: -54.804
Base-Backbone interact. energy: 2.800
local terms energy: -69.684056
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -12.251
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -10.606
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: 6, replica: 1
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -176.396515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.396515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.396515 (E_RNA)
where:
Base-Base interactions energy: -117.624
where: short stacking energy: -54.775
Base-Backbone interact. energy: -0.097
local terms energy: -58.675309
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -10.276
tors. eta vs tors. theta energy: -12.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -94.007399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.007399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.007399 (E_RNA)
where:
Base-Base interactions energy: -42.856
where: short stacking energy: -42.856
Base-Backbone interact. energy: -0.030
local terms energy: -51.121454
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -12.512
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -82.493378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.493378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.493378 (E_RNA)
where:
Base-Base interactions energy: -30.844
where: short stacking energy: -27.748
Base-Backbone interact. energy: 0.049
local terms energy: -51.698247
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -14.303
flat angles C4'-P-C4' energy: -8.945
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -85.976141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.976141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.976141 (E_RNA)
where:
Base-Base interactions energy: -33.031
where: short stacking energy: -31.510
Base-Backbone interact. energy: -0.138
local terms energy: -52.807042
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -9.935
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -9.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -77.078565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.078565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.078565 (E_RNA)
where:
Base-Base interactions energy: -25.256
where: short stacking energy: -25.256
Base-Backbone interact. energy: 1.707
local terms energy: -53.529176
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -8.682
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -2.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -223.059552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.059552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.059552 (E_RNA)
where:
Base-Base interactions energy: -149.628
where: short stacking energy: -72.284
Base-Backbone interact. energy: -0.292
local terms energy: -73.139329
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -20.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -191.067127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.067127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.067127 (E_RNA)
where:
Base-Base interactions energy: -121.151
where: short stacking energy: -52.509
Base-Backbone interact. energy: -0.129
local terms energy: -69.786577
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -10.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -223.771111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.771111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.771111 (E_RNA)
where:
Base-Base interactions energy: -152.963
where: short stacking energy: -63.443
Base-Backbone interact. energy: -0.142
local terms energy: -70.665915
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -14.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -197.601582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.601582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.601582 (E_RNA)
where:
Base-Base interactions energy: -124.764
where: short stacking energy: -58.335
Base-Backbone interact. energy: -0.425
local terms energy: -72.411989
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -16.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -167.019426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.019426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.019426 (E_RNA)
where:
Base-Base interactions energy: -106.700
where: short stacking energy: -49.270
Base-Backbone interact. energy: -0.092
local terms energy: -60.226992
where:
bonds (distance) C4'-P energy: -11.200
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -14.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -176.181408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.181408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.181408 (E_RNA)
where:
Base-Base interactions energy: -110.008
where: short stacking energy: -55.908
Base-Backbone interact. energy: -0.410
local terms energy: -65.762591
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -13.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -101.733168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.733168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.733168 (E_RNA)
where:
Base-Base interactions energy: -40.532
where: short stacking energy: -39.881
Base-Backbone interact. energy: -0.118
local terms energy: -61.083329
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -11.624
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -10.172
tors. eta vs tors. theta energy: -9.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -104.271753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.271753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.271753 (E_RNA)
where:
Base-Base interactions energy: -54.555
where: short stacking energy: -47.554
Base-Backbone interact. energy: 0.116
local terms energy: -49.832012
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -10.103
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -9.583
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: 5
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -88.081631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.081631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.081631 (E_RNA)
where:
Base-Base interactions energy: -34.958
where: short stacking energy: -22.655
Base-Backbone interact. energy: 0.661
local terms energy: -53.784664
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -10.562
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -71.648016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.648016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.648016 (E_RNA)
where:
Base-Base interactions energy: -31.837
where: short stacking energy: -29.798
Base-Backbone interact. energy: 0.580
local terms energy: -40.390485
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -7.919
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: 1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -232.411840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.411840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.411840 (E_RNA)
where:
Base-Base interactions energy: -155.049
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.001
local terms energy: -77.362411
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -19.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -226.274319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.274319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.274319 (E_RNA)
where:
Base-Base interactions energy: -155.258
where: short stacking energy: -64.878
Base-Backbone interact. energy: -1.112
local terms energy: -69.904370
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -13.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -188.090889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.090889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.090889 (E_RNA)
where:
Base-Base interactions energy: -129.430
where: short stacking energy: -53.166
Base-Backbone interact. energy: -0.572
local terms energy: -58.088634
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -7.364
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -196.584277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.584277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.584277 (E_RNA)
where:
Base-Base interactions energy: -125.030
where: short stacking energy: -71.248
Base-Backbone interact. energy: -0.001
local terms energy: -71.553341
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -191.593829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.593829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.593829 (E_RNA)
where:
Base-Base interactions energy: -125.421
where: short stacking energy: -65.177
Base-Backbone interact. energy: -0.100
local terms energy: -66.072722
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -180.215896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.215896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.215896 (E_RNA)
where:
Base-Base interactions energy: -113.256
where: short stacking energy: -50.052
Base-Backbone interact. energy: -0.004
local terms energy: -66.956002
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -117.940086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.940086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.940086 (E_RNA)
where:
Base-Base interactions energy: -57.349
where: short stacking energy: -41.295
Base-Backbone interact. energy: -0.012
local terms energy: -60.579207
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -12.581
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -9.450
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: 5
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -101.757096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.757096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.757096 (E_RNA)
where:
Base-Base interactions energy: -52.185
where: short stacking energy: -28.234
Base-Backbone interact. energy: -0.238
local terms energy: -49.334144
where:
bonds (distance) C4'-P energy: -12.327
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -1.970
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: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -79.665066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.665066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.665066 (E_RNA)
where:
Base-Base interactions energy: -41.394
where: short stacking energy: -19.779
Base-Backbone interact. energy: 0.142
local terms energy: -38.412495
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -11.610
flat angles C4'-P-C4' energy: -11.025
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: 0.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -77.820045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.820045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.820045 (E_RNA)
where:
Base-Base interactions energy: -36.445
where: short stacking energy: -26.121
Base-Backbone interact. energy: 0.276
local terms energy: -41.651627
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -11.445
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: 1.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -235.459315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.459315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.459315 (E_RNA)
where:
Base-Base interactions energy: -157.968
where: short stacking energy: -77.836
Base-Backbone interact. energy: -0.550
local terms energy: -76.941179
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -22.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -229.838384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.838384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.838384 (E_RNA)
where:
Base-Base interactions energy: -161.591
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.269
local terms energy: -67.977966
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -6.141
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: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -191.955599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.955599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.955599 (E_RNA)
where:
Base-Base interactions energy: -132.262
where: short stacking energy: -54.400
Base-Backbone interact. energy: -0.009
local terms energy: -59.684333
where:
bonds (distance) C4'-P energy: -10.650
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -8.244
tors. eta vs tors. theta energy: -10.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -190.196877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.196877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.196877 (E_RNA)
where:
Base-Base interactions energy: -124.395
where: short stacking energy: -67.582
Base-Backbone interact. energy: -0.065
local terms energy: -65.736683
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -14.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -177.963106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.963106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.963106 (E_RNA)
where:
Base-Base interactions energy: -123.623
where: short stacking energy: -61.892
Base-Backbone interact. energy: -0.017
local terms energy: -54.322998
where:
bonds (distance) C4'-P energy: -12.770
bonds (distance) P-C4' energy: -9.175
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -9.335
tors. eta vs tors. theta energy: -11.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -188.709990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.709990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.709990 (E_RNA)
where:
Base-Base interactions energy: -113.891
where: short stacking energy: -53.292
Base-Backbone interact. energy: -0.187
local terms energy: -74.632643
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.883
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: 7, replica: 6
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -112.307394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.307394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.307394 (E_RNA)
where:
Base-Base interactions energy: -59.325
where: short stacking energy: -32.047
Base-Backbone interact. energy: 0.555
local terms energy: -53.536878
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.604
flat angles C4'-P-C4' energy: -7.430
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -8.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -95.567657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.567657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.567657 (E_RNA)
where:
Base-Base interactions energy: -45.363
where: short stacking energy: -29.230
Base-Backbone interact. energy: -0.145
local terms energy: -50.059520
where:
bonds (distance) C4'-P energy: -11.792
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -1.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -85.597279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.597279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.597279 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -23.788
Base-Backbone interact. energy: -0.025
local terms energy: -45.276306
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -5.933
tors. eta vs tors. theta energy: 1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -80.274558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.274558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.274558 (E_RNA)
where:
Base-Base interactions energy: -29.337
where: short stacking energy: -25.042
Base-Backbone interact. energy: 1.465
local terms energy: -52.402659
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -232.804714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.804714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.804714 (E_RNA)
where:
Base-Base interactions energy: -156.432
where: short stacking energy: -77.855
Base-Backbone interact. energy: -0.004
local terms energy: -76.368060
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -13.602
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -20.508
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: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -197.490614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.490614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.490614 (E_RNA)
where:
Base-Base interactions energy: -128.138
where: short stacking energy: -65.442
Base-Backbone interact. energy: -0.042
local terms energy: -69.310887
where:
bonds (distance) C4'-P energy: -11.995
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -8.752
tors. eta vs tors. theta energy: -19.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -217.675101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.675101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.675101 (E_RNA)
where:
Base-Base interactions energy: -154.330
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.187
local terms energy: -63.158489
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -10.311
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: 4, replica: 8
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -191.051282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.051282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.051282 (E_RNA)
where:
Base-Base interactions energy: -122.810
where: short stacking energy: -59.402
Base-Backbone interact. energy: -0.070
local terms energy: -68.171218
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -15.036
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -14.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -173.806513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.806513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.806513 (E_RNA)
where:
Base-Base interactions energy: -116.675
where: short stacking energy: -53.467
Base-Backbone interact. energy: 1.681
local terms energy: -58.812640
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -11.426
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -11.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -181.401838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.401838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.401838 (E_RNA)
where:
Base-Base interactions energy: -110.477
where: short stacking energy: -52.798
Base-Backbone interact. energy: -0.016
local terms energy: -70.908552
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -15.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -100.780505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.780505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.780505 (E_RNA)
where:
Base-Base interactions energy: -46.006
where: short stacking energy: -31.802
Base-Backbone interact. energy: -0.233
local terms energy: -54.541575
where:
bonds (distance) C4'-P energy: -18.573
bonds (distance) P-C4' energy: -10.330
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -121.178477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.178477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.178477 (E_RNA)
where:
Base-Base interactions energy: -63.318
where: short stacking energy: -29.458
Base-Backbone interact. energy: 0.788
local terms energy: -58.648184
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -82.990872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.990872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.990872 (E_RNA)
where:
Base-Base interactions energy: -28.638
where: short stacking energy: -26.696
Base-Backbone interact. energy: -0.152
local terms energy: -54.200363
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -8.325
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -81.843890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843890 (E_RNA)
where:
Base-Base interactions energy: -34.052
where: short stacking energy: -34.052
Base-Backbone interact. energy: -0.166
local terms energy: -47.625844
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -220.846265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.846265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.846265 (E_RNA)
where:
Base-Base interactions energy: -147.572
where: short stacking energy: -66.051
Base-Backbone interact. energy: 0.261
local terms energy: -73.534721
where:
bonds (distance) C4'-P energy: -17.097
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -17.956
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -202.206541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.206541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.206541 (E_RNA)
where:
Base-Base interactions energy: -138.075
where: short stacking energy: -56.373
Base-Backbone interact. energy: -0.126
local terms energy: -64.005544
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -8.138
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -220.861729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.861729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.861729 (E_RNA)
where:
Base-Base interactions energy: -154.708
where: short stacking energy: -66.536
Base-Backbone interact. energy: -1.227
local terms energy: -64.926372
where:
bonds (distance) C4'-P energy: -10.314
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -12.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -184.247690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.247690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.247690 (E_RNA)
where:
Base-Base interactions energy: -115.106
where: short stacking energy: -56.361
Base-Backbone interact. energy: -0.330
local terms energy: -68.811355
where:
bonds (distance) C4'-P energy: -9.522
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -15.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -196.282868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.282868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.282868 (E_RNA)
where:
Base-Base interactions energy: -134.894
where: short stacking energy: -59.973
Base-Backbone interact. energy: 0.527
local terms energy: -61.916048
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -12.456
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -15.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -182.000931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.000931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.000931 (E_RNA)
where:
Base-Base interactions energy: -114.841
where: short stacking energy: -54.769
Base-Backbone interact. energy: -0.013
local terms energy: -67.146872
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -10.000
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -11.861
tors. eta vs tors. theta energy: -15.788
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: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -142.039732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.039732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.039732 (E_RNA)
where:
Base-Base interactions energy: -82.240
where: short stacking energy: -44.373
Base-Backbone interact. energy: -0.077
local terms energy: -59.722569
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -11.336
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: 8, replica: 6
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -99.361031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.361031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.361031 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -21.326
Base-Backbone interact. energy: -0.046
local terms energy: -54.404520
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -15.175
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: 0.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -81.803552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.803552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.803552 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -27.749
Base-Backbone interact. energy: -0.039
local terms energy: -48.910923
where:
bonds (distance) C4'-P energy: -12.516
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -3.353
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: 5
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -86.900459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.900459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.900459 (E_RNA)
where:
Base-Base interactions energy: -41.379
where: short stacking energy: -33.831
Base-Backbone interact. energy: -0.030
local terms energy: -45.490941
where:
bonds (distance) C4'-P energy: -10.960
bonds (distance) P-C4' energy: -12.234
flat angles C4'-P-C4' energy: -13.188
flat angles P-C4'-P energy: -2.652
tors. eta vs tors. theta energy: -6.457
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: 10
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -233.885969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.885969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.885969 (E_RNA)
where:
Base-Base interactions energy: -157.193
where: short stacking energy: -77.195
Base-Backbone interact. energy: -0.007
local terms energy: -76.686128
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -224.853022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.853022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.853022 (E_RNA)
where:
Base-Base interactions energy: -150.418
where: short stacking energy: -62.551
Base-Backbone interact. energy: -1.433
local terms energy: -73.001626
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -15.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -192.133769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.133769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.133769 (E_RNA)
where:
Base-Base interactions energy: -120.263
where: short stacking energy: -59.113
Base-Backbone interact. energy: 0.031
local terms energy: -71.902479
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -15.156
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: 4, replica: 1
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -199.206055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.206055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.206055 (E_RNA)
where:
Base-Base interactions energy: -137.782
where: short stacking energy: -48.073
Base-Backbone interact. energy: -0.246
local terms energy: -61.177823
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -10.739
tors. eta vs tors. theta energy: -6.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -187.892278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.892278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.892278 (E_RNA)
where:
Base-Base interactions energy: -118.339
where: short stacking energy: -63.427
Base-Backbone interact. energy: -0.008
local terms energy: -69.545010
where:
bonds (distance) C4'-P energy: -12.057
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -8.341
tors. eta vs tors. theta energy: -19.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -179.113798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.113798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.113798 (E_RNA)
where:
Base-Base interactions energy: -118.793
where: short stacking energy: -49.192
Base-Backbone interact. energy: 2.627
local terms energy: -62.947121
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -11.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -144.034432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.034432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.034432 (E_RNA)
where:
Base-Base interactions energy: -82.955
where: short stacking energy: -40.474
Base-Backbone interact. energy: -0.405
local terms energy: -60.674396
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -13.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -92.080921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.080921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.080921 (E_RNA)
where:
Base-Base interactions energy: -34.955
where: short stacking energy: -34.955
Base-Backbone interact. energy: -0.191
local terms energy: -56.935010
where:
bonds (distance) C4'-P energy: -9.354
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -4.568
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: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -94.248141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.248141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.248141 (E_RNA)
where:
Base-Base interactions energy: -44.037
where: short stacking energy: -37.222
Base-Backbone interact. energy: 2.116
local terms energy: -52.327430
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -12.578
flat angles C4'-P-C4' energy: -15.743
flat angles P-C4'-P energy: -5.512
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -81.297502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.297502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.297502 (E_RNA)
where:
Base-Base interactions energy: -25.161
where: short stacking energy: -25.161
Base-Backbone interact. energy: -0.002
local terms energy: -56.133972
where:
bonds (distance) C4'-P energy: -10.342
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -9.277
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: 1, replica: 10
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -231.867848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.867848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.867848 (E_RNA)
where:
Base-Base interactions energy: -152.609
where: short stacking energy: -70.089
Base-Backbone interact. energy: -0.307
local terms energy: -78.952136
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -222.252525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.252525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.252525 (E_RNA)
where:
Base-Base interactions energy: -149.202
where: short stacking energy: -55.332
Base-Backbone interact. energy: -0.728
local terms energy: -72.323027
where:
bonds (distance) C4'-P energy: -16.082
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -13.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -197.732801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.732801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.732801 (E_RNA)
where:
Base-Base interactions energy: -126.976
where: short stacking energy: -61.145
Base-Backbone interact. energy: 0.921
local terms energy: -71.678253
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.383
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: 1
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -178.882202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.882202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.882202 (E_RNA)
where:
Base-Base interactions energy: -115.128
where: short stacking energy: -46.331
Base-Backbone interact. energy: -1.402
local terms energy: -62.352802
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -10.257
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: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -175.516772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.516772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.516772 (E_RNA)
where:
Base-Base interactions energy: -111.191
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.799
local terms energy: -63.526953
where:
bonds (distance) C4'-P energy: -11.379
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.144
flat angles P-C4'-P energy: -10.506
tors. eta vs tors. theta energy: -14.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -168.414529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.414529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.414529 (E_RNA)
where:
Base-Base interactions energy: -105.504
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.080
local terms energy: -62.829801
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -17.199
flat angles P-C4'-P energy: -9.404
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -143.443868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.443868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.443868 (E_RNA)
where:
Base-Base interactions energy: -87.738
where: short stacking energy: -41.105
Base-Backbone interact. energy: -0.175
local terms energy: -55.530592
where:
bonds (distance) C4'-P energy: -9.134
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -8.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -88.657584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.657584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.657584 (E_RNA)
where:
Base-Base interactions energy: -32.442
where: short stacking energy: -29.289
Base-Backbone interact. energy: -0.023
local terms energy: -56.193350
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -7.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -85.295882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.295882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.295882 (E_RNA)
where:
Base-Base interactions energy: -35.817
where: short stacking energy: -27.366
Base-Backbone interact. energy: -0.078
local terms energy: -49.400540
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -9.995
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -1.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -76.416463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.416463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.416463 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -29.997
Base-Backbone interact. energy: 0.080
local terms energy: -45.589429
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -12.191
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -233.019424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.019424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.019424 (E_RNA)
where:
Base-Base interactions energy: -151.178
where: short stacking energy: -80.813
Base-Backbone interact. energy: -0.012
local terms energy: -81.829833
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -20.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -200.569484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569484 (E_RNA)
where:
Base-Base interactions energy: -124.369
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.191
local terms energy: -76.008575
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -201.233911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.233911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.233911 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.283
local terms energy: -70.447738
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -13.997
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -182.987719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.987719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.987719 (E_RNA)
where:
Base-Base interactions energy: -117.530
where: short stacking energy: -57.972
Base-Backbone interact. energy: -0.001
local terms energy: -65.456788
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -15.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -184.504030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.504030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.504030 (E_RNA)
where:
Base-Base interactions energy: -122.615
where: short stacking energy: -54.800
Base-Backbone interact. energy: -0.717
local terms energy: -61.171376
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -165.542128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.542128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.542128 (E_RNA)
where:
Base-Base interactions energy: -99.186
where: short stacking energy: -60.967
Base-Backbone interact. energy: -0.002
local terms energy: -66.353965
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -6.876
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: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -179.827624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.827624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.827624 (E_RNA)
where:
Base-Base interactions energy: -114.131
where: short stacking energy: -44.109
Base-Backbone interact. energy: 0.093
local terms energy: -65.789833
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -9.371
tors. eta vs tors. theta energy: -13.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -124.766412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.766412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.766412 (E_RNA)
where:
Base-Base interactions energy: -77.050
where: short stacking energy: -28.580
Base-Backbone interact. energy: -0.081
local terms energy: -47.635625
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -3.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -87.628984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.628984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.628984 (E_RNA)
where:
Base-Base interactions energy: -25.691
where: short stacking energy: -25.691
Base-Backbone interact. energy: -0.292
local terms energy: -61.646655
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -14.643
flat angles P-C4'-P energy: -7.650
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: 5
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -77.665970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.665970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.665970 (E_RNA)
where:
Base-Base interactions energy: -23.105
where: short stacking energy: -23.105
Base-Backbone interact. energy: -0.144
local terms energy: -54.417501
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -5.388
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: 10
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -227.659215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659215 (E_RNA)
where:
Base-Base interactions energy: -153.976
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.002
local terms energy: -73.681194
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -20.859
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: 2
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -203.927830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.927830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.927830 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -68.506
Base-Backbone interact. energy: -0.011
local terms energy: -75.129651
where:
bonds (distance) C4'-P energy: -16.326
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -16.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -208.559335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.559335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.559335 (E_RNA)
where:
Base-Base interactions energy: -139.842
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.397
local terms energy: -68.320494
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -10.530
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -19.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -187.064052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.064052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.064052 (E_RNA)
where:
Base-Base interactions energy: -121.007
where: short stacking energy: -61.119
Base-Backbone interact. energy: -0.053
local terms energy: -66.004115
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -10.186
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -14.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -188.692890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.692890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.692890 (E_RNA)
where:
Base-Base interactions energy: -114.386
where: short stacking energy: -51.885
Base-Backbone interact. energy: -1.112
local terms energy: -73.194392
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -16.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -182.659046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.659046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.659046 (E_RNA)
where:
Base-Base interactions energy: -116.018
where: short stacking energy: -62.017
Base-Backbone interact. energy: -1.397
local terms energy: -65.243432
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -11.619
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -11.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -177.801675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.801675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.801675 (E_RNA)
where:
Base-Base interactions energy: -111.296
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.116
local terms energy: -66.389607
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -11.454
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -16.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -92.249574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.249574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.249574 (E_RNA)
where:
Base-Base interactions energy: -48.676
where: short stacking energy: -24.244
Base-Backbone interact. energy: -0.171
local terms energy: -43.401948
where:
bonds (distance) C4'-P energy: -7.648
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -12.320
flat angles P-C4'-P energy: -8.864
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -114.725521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.725521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.725521 (E_RNA)
where:
Base-Base interactions energy: -65.104
where: short stacking energy: -40.873
Base-Backbone interact. energy: -0.285
local terms energy: -49.336792
where:
bonds (distance) C4'-P energy: -10.882
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -6.908
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -6.959
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: 10, replica: 9
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -77.840547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.840547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.840547 (E_RNA)
where:
Base-Base interactions energy: -43.212
where: short stacking energy: -28.017
Base-Backbone interact. energy: 0.150
local terms energy: -34.778876
where:
bonds (distance) C4'-P energy: -7.521
bonds (distance) P-C4' energy: -13.546
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: 1.227
tors. eta vs tors. theta energy: 0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -229.673879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.673879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.673879 (E_RNA)
where:
Base-Base interactions energy: -154.512
where: short stacking energy: -75.940
Base-Backbone interact. energy: 0.750
local terms energy: -75.911465
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -17.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -214.904122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.904122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.904122 (E_RNA)
where:
Base-Base interactions energy: -145.461
where: short stacking energy: -69.074
Base-Backbone interact. energy: -0.420
local terms energy: -69.022555
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.513
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -15.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -197.616575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.616575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.616575 (E_RNA)
where:
Base-Base interactions energy: -130.886
where: short stacking energy: -62.211
Base-Backbone interact. energy: -1.377
local terms energy: -65.353622
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -6.621
tors. eta vs tors. theta energy: -16.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -198.934096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.934096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.934096 (E_RNA)
where:
Base-Base interactions energy: -133.077
where: short stacking energy: -60.753
Base-Backbone interact. energy: -0.250
local terms energy: -65.607755
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.046
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: 5, replica: 1
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -181.597115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.597115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.597115 (E_RNA)
where:
Base-Base interactions energy: -120.506
where: short stacking energy: -47.450
Base-Backbone interact. energy: -0.198
local terms energy: -60.892733
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -2.868
tors. eta vs tors. theta energy: -10.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -157.993107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.993107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.993107 (E_RNA)
where:
Base-Base interactions energy: -101.176
where: short stacking energy: -46.798
Base-Backbone interact. energy: -0.063
local terms energy: -56.753931
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -12.759
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -11.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -191.183982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.183982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.183982 (E_RNA)
where:
Base-Base interactions energy: -124.922
where: short stacking energy: -65.129
Base-Backbone interact. energy: -0.359
local terms energy: -65.903078
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -12.726
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -14.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -130.543222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.543222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.543222 (E_RNA)
where:
Base-Base interactions energy: -76.766
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.007
local terms energy: -53.770150
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -5.800
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: 9, replica: 6
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -88.291484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.291484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.291484 (E_RNA)
where:
Base-Base interactions energy: -36.670
where: short stacking energy: -28.749
Base-Backbone interact. energy: -0.236
local terms energy: -51.384861
where:
bonds (distance) C4'-P energy: -13.216
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -2.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -88.649923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649923 (E_RNA)
where:
Base-Base interactions energy: -35.257
where: short stacking energy: -35.257
Base-Backbone interact. energy: -0.097
local terms energy: -53.295714
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.370
flat angles P-C4'-P energy: -2.232
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: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -228.612610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.612610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.612610 (E_RNA)
where:
Base-Base interactions energy: -154.531
where: short stacking energy: -73.487
Base-Backbone interact. energy: -0.004
local terms energy: -74.078101
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -8.387
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: 2, replica: 4
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -211.927739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.927739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.927739 (E_RNA)
where:
Base-Base interactions energy: -140.951
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.474
local terms energy: -70.502949
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -11.970
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.216
tors. eta vs tors. theta energy: -17.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -201.479234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.479234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.479234 (E_RNA)
where:
Base-Base interactions energy: -136.253
where: short stacking energy: -52.901
Base-Backbone interact. energy: -0.011
local terms energy: -65.216138
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -12.515
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -192.306681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.306681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.306681 (E_RNA)
where:
Base-Base interactions energy: -124.444
where: short stacking energy: -62.643
Base-Backbone interact. energy: 1.383
local terms energy: -69.245089
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -159.907386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.907386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.907386 (E_RNA)
where:
Base-Base interactions energy: -97.481
where: short stacking energy: -49.424
Base-Backbone interact. energy: 0.160
local terms energy: -62.586406
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -8.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -181.385798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.385798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.385798 (E_RNA)
where:
Base-Base interactions energy: -120.202
where: short stacking energy: -56.409
Base-Backbone interact. energy: -1.109
local terms energy: -60.074346
where:
bonds (distance) C4'-P energy: -8.493
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -13.718
flat angles P-C4'-P energy: -6.685
tors. eta vs tors. theta energy: -15.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -179.256189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.256189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.256189 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -52.282
Base-Backbone interact. energy: -0.226
local terms energy: -62.633900
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -13.934
flat angles C4'-P-C4' energy: -9.182
flat angles P-C4'-P energy: -9.684
tors. eta vs tors. theta energy: -14.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -118.058120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.058120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.058120 (E_RNA)
where:
Base-Base interactions energy: -67.368
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.603
local terms energy: -50.087295
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -11.236
tors. eta vs tors. theta energy: -1.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -78.143703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.143703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.143703 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -26.458
Base-Backbone interact. energy: -1.145
local terms energy: -43.196015
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -8.868
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: 2.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -82.680188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.680188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.680188 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -31.460
Base-Backbone interact. energy: -0.070
local terms energy: -49.317630
where:
bonds (distance) C4'-P energy: -15.071
bonds (distance) P-C4' energy: -13.776
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -2.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -225.576411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576411 (E_RNA)
where:
Base-Base interactions energy: -146.833
where: short stacking energy: -70.352
Base-Backbone interact. energy: -0.004
local terms energy: -78.739404
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -15.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -212.219100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.219100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.219100 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -67.741
Base-Backbone interact. energy: 0.133
local terms energy: -65.014666
where:
bonds (distance) C4'-P energy: -9.752
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -12.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -208.454541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.454541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.454541 (E_RNA)
where:
Base-Base interactions energy: -136.097
where: short stacking energy: -52.966
Base-Backbone interact. energy: -0.179
local terms energy: -72.179073
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -8.320
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: 4, replica: 8
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -177.276893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.276893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.276893 (E_RNA)
where:
Base-Base interactions energy: -113.554
where: short stacking energy: -51.562
Base-Backbone interact. energy: -0.896
local terms energy: -62.826751
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -12.681
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -12.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -187.238515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.238515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.238515 (E_RNA)
where:
Base-Base interactions energy: -129.045
where: short stacking energy: -62.361
Base-Backbone interact. energy: -0.001
local terms energy: -58.192443
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -8.532
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -7.511
tors. eta vs tors. theta energy: -14.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -208.178353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.178353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.178353 (E_RNA)
where:
Base-Base interactions energy: -132.596
where: short stacking energy: -61.168
Base-Backbone interact. energy: -0.002
local terms energy: -75.580538
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -17.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -166.595986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.595986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.595986 (E_RNA)
where:
Base-Base interactions energy: -112.853
where: short stacking energy: -54.560
Base-Backbone interact. energy: -0.007
local terms energy: -53.735999
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -12.296
flat angles P-C4'-P energy: -1.486
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: 8, replica: 5
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -85.921887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.921887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.921887 (E_RNA)
where:
Base-Base interactions energy: -30.545
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.201
local terms energy: -55.176372
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -7.688
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -4.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -86.652538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.652538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.652538 (E_RNA)
where:
Base-Base interactions energy: -35.941
where: short stacking energy: -35.941
Base-Backbone interact. energy: -0.130
local terms energy: -50.581594
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -6.946
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -8.601
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: 6
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -70.519410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.519410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.519410 (E_RNA)
where:
Base-Base interactions energy: -30.566
where: short stacking energy: -25.023
Base-Backbone interact. energy: -0.018
local terms energy: -39.935334
where:
bonds (distance) C4'-P energy: -7.533
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -7.219
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: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -227.979840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.979840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.979840 (E_RNA)
where:
Base-Base interactions energy: -145.343
where: short stacking energy: -68.315
Base-Backbone interact. energy: -0.000
local terms energy: -82.636091
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -19.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -221.331207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.331207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.331207 (E_RNA)
where:
Base-Base interactions energy: -148.960
where: short stacking energy: -62.669
Base-Backbone interact. energy: -0.322
local terms energy: -72.049172
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -9.847
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: 3, replica: 8
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -190.716046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.716046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.716046 (E_RNA)
where:
Base-Base interactions energy: -122.579
where: short stacking energy: -63.588
Base-Backbone interact. energy: -0.532
local terms energy: -67.605484
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -11.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -207.917832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.917832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.917832 (E_RNA)
where:
Base-Base interactions energy: -145.940
where: short stacking energy: -63.389
Base-Backbone interact. energy: -0.017
local terms energy: -61.960268
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -12.859
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -6.608
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: 5, replica: 7
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -201.482634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.482634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.482634 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -56.942
Base-Backbone interact. energy: 1.344
local terms energy: -71.078019
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -10.661
tors. eta vs tors. theta energy: -14.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -178.335176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.335176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.335176 (E_RNA)
where:
Base-Base interactions energy: -118.967
where: short stacking energy: -50.546
Base-Backbone interact. energy: 0.513
local terms energy: -59.881622
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -8.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -166.991208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.991208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.991208 (E_RNA)
where:
Base-Base interactions energy: -104.248
where: short stacking energy: -43.715
Base-Backbone interact. energy: -0.431
local terms energy: -62.312295
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -11.321
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -9.619
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: 8, replica: 5
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -88.341877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.341877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.341877 (E_RNA)
where:
Base-Base interactions energy: -32.799
where: short stacking energy: -32.257
Base-Backbone interact. energy: -0.100
local terms energy: -55.442982
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -3.980
tors. eta vs tors. theta energy: -5.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -90.165310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.165310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.165310 (E_RNA)
where:
Base-Base interactions energy: -41.346
where: short stacking energy: -25.096
Base-Backbone interact. energy: -0.141
local terms energy: -48.678561
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -3.522
tors. eta vs tors. theta energy: -5.913
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: 94
Temperature: 1.350000
Total energy: -85.486377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.486377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.486377 (E_RNA)
where:
Base-Base interactions energy: -41.815
where: short stacking energy: -23.376
Base-Backbone interact. energy: -0.146
local terms energy: -43.525730
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -3.889
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: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -237.763127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.763127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.763127 (E_RNA)
where:
Base-Base interactions energy: -157.184
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.289
local terms energy: -80.290402
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -223.506920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.506920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.506920 (E_RNA)
where:
Base-Base interactions energy: -150.521
where: short stacking energy: -66.100
Base-Backbone interact. energy: -0.368
local terms energy: -72.617602
where:
bonds (distance) C4'-P energy: -10.220
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -18.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -191.463789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.463789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.463789 (E_RNA)
where:
Base-Base interactions energy: -128.241
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.133
local terms energy: -63.090005
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -3.701
tors. eta vs tors. theta energy: -9.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -207.857696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.857696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.857696 (E_RNA)
where:
Base-Base interactions energy: -134.112
where: short stacking energy: -69.969
Base-Backbone interact. energy: -0.389
local terms energy: -73.355785
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.131
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: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -187.890001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.890001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.890001 (E_RNA)
where:
Base-Base interactions energy: -123.014
where: short stacking energy: -58.851
Base-Backbone interact. energy: 0.133
local terms energy: -65.009546
where:
bonds (distance) C4'-P energy: -7.744
bonds (distance) P-C4' energy: -14.290
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -15.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -181.267207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.267207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.267207 (E_RNA)
where:
Base-Base interactions energy: -112.835
where: short stacking energy: -54.202
Base-Backbone interact. energy: 0.186
local terms energy: -68.617500
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -13.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -165.042448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.042448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.042448 (E_RNA)
where:
Base-Base interactions energy: -103.144
where: short stacking energy: -52.326
Base-Backbone interact. energy: -0.100
local terms energy: -61.799189
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -101.176267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.176267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.176267 (E_RNA)
where:
Base-Base interactions energy: -42.083
where: short stacking energy: -42.083
Base-Backbone interact. energy: -0.119
local terms energy: -58.973919
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -82.536997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.536997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.536997 (E_RNA)
where:
Base-Base interactions energy: -24.647
where: short stacking energy: -24.647
Base-Backbone interact. energy: -0.133
local terms energy: -57.757675
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -14.523
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -87.544468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.544468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.544468 (E_RNA)
where:
Base-Base interactions energy: -37.406
where: short stacking energy: -26.510
Base-Backbone interact. energy: -0.120
local terms energy: -50.017941
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -8.763
flat angles P-C4'-P energy: -6.592
tors. eta vs tors. theta energy: -4.659
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: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -224.448099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.448099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.448099 (E_RNA)
where:
Base-Base interactions energy: -144.680
where: short stacking energy: -67.729
Base-Backbone interact. energy: -0.683
local terms energy: -79.085098
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -224.387054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.387054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.387054 (E_RNA)
where:
Base-Base interactions energy: -149.049
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.803
local terms energy: -74.535336
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -15.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -219.829185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.829185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.829185 (E_RNA)
where:
Base-Base interactions energy: -152.146
where: short stacking energy: -62.459
Base-Backbone interact. energy: -0.516
local terms energy: -67.167513
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -5.012
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: 8
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -186.263542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.263542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.263542 (E_RNA)
where:
Base-Base interactions energy: -118.035
where: short stacking energy: -52.653
Base-Backbone interact. energy: -0.010
local terms energy: -68.218857
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -11.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -190.842395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.842395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.842395 (E_RNA)
where:
Base-Base interactions energy: -127.872
where: short stacking energy: -52.453
Base-Backbone interact. energy: -0.058
local terms energy: -62.912493
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -186.473125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.473125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.473125 (E_RNA)
where:
Base-Base interactions energy: -133.756
where: short stacking energy: -56.034
Base-Backbone interact. energy: -0.078
local terms energy: -52.639040
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -12.285
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -7.525
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: 96
Temperature: 1.200000
Total energy: -178.632289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.632289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.632289 (E_RNA)
where:
Base-Base interactions energy: -117.255
where: short stacking energy: -54.739
Base-Backbone interact. energy: -0.003
local terms energy: -61.374103
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -12.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -84.040029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.040029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.040029 (E_RNA)
where:
Base-Base interactions energy: -40.926
where: short stacking energy: -28.630
Base-Backbone interact. energy: 0.445
local terms energy: -43.558507
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -13.130
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -89.322991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.322991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.322991 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -33.336
Base-Backbone interact. energy: -0.111
local terms energy: -51.230869
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -15.003
flat angles P-C4'-P energy: -5.345
tors. eta vs tors. theta energy: -4.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -93.881507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.881507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.881507 (E_RNA)
where:
Base-Base interactions energy: -36.569
where: short stacking energy: -33.088
Base-Backbone interact. energy: -0.053
local terms energy: -57.258919
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -9.026
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: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -234.361466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.361466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.361466 (E_RNA)
where:
Base-Base interactions energy: -156.493
where: short stacking energy: -76.098
Base-Backbone interact. energy: 0.529
local terms energy: -78.397791
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.388
tors. eta vs tors. theta energy: -18.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -230.744790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.744790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.744790 (E_RNA)
where:
Base-Base interactions energy: -156.354
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.041
local terms energy: -74.349767
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -214.394446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.394446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.394446 (E_RNA)
where:
Base-Base interactions energy: -148.034
where: short stacking energy: -62.418
Base-Backbone interact. energy: -0.789
local terms energy: -65.571279
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -12.354
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -182.236976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.236976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.236976 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -54.162
Base-Backbone interact. energy: -0.052
local terms energy: -64.789972
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -10.588
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: 8
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -183.719362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.719362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.719362 (E_RNA)
where:
Base-Base interactions energy: -124.382
where: short stacking energy: -62.466
Base-Backbone interact. energy: -0.025
local terms energy: -59.312034
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -3.823
tors. eta vs tors. theta energy: -15.338
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: 2
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -176.910357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.910357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.910357 (E_RNA)
where:
Base-Base interactions energy: -109.996
where: short stacking energy: -53.573
Base-Backbone interact. energy: -0.210
local terms energy: -66.703807
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -8.136
tors. eta vs tors. theta energy: -13.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -174.314617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.314617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.314617 (E_RNA)
where:
Base-Base interactions energy: -115.491
where: short stacking energy: -54.926
Base-Backbone interact. energy: -0.068
local terms energy: -58.755553
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -7.422
tors. eta vs tors. theta energy: -7.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -83.547181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.547181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.547181 (E_RNA)
where:
Base-Base interactions energy: -22.445
where: short stacking energy: -21.551
Base-Backbone interact. energy: -0.405
local terms energy: -60.696524
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -12.715
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -5.616
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: 6
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -80.817321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817321 (E_RNA)
where:
Base-Base interactions energy: -33.960
where: short stacking energy: -31.260
Base-Backbone interact. energy: -2.130
local terms energy: -44.726656
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -5.114
flat angles P-C4'-P energy: -5.877
tors. eta vs tors. theta energy: -6.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -83.626195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.626195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.626195 (E_RNA)
where:
Base-Base interactions energy: -37.582
where: short stacking energy: -30.190
Base-Backbone interact. energy: -0.272
local terms energy: -45.772085
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -10.750
flat angles P-C4'-P energy: -3.710
tors. eta vs tors. theta energy: -6.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -233.968273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.968273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.968273 (E_RNA)
where:
Base-Base interactions energy: -151.087
where: short stacking energy: -74.202
Base-Backbone interact. energy: -0.001
local terms energy: -82.880226
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -223.279400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.279400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.279400 (E_RNA)
where:
Base-Base interactions energy: -145.110
where: short stacking energy: -72.490
Base-Backbone interact. energy: -0.061
local terms energy: -78.108079
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -12.123
tors. eta vs tors. theta energy: -20.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -189.963146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.963146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.963146 (E_RNA)
where:
Base-Base interactions energy: -124.890
where: short stacking energy: -61.170
Base-Backbone interact. energy: -0.037
local terms energy: -65.036059
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -10.760
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: 4, replica: 4
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -214.869189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.869189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.869189 (E_RNA)
where:
Base-Base interactions energy: -144.716
where: short stacking energy: -66.973
Base-Backbone interact. energy: 0.388
local terms energy: -70.540646
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.078
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -18.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -189.665766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.665766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.665766 (E_RNA)
where:
Base-Base interactions energy: -130.106
where: short stacking energy: -50.355
Base-Backbone interact. energy: -0.172
local terms energy: -59.387772
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -10.221
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -2.339
tors. eta vs tors. theta energy: -14.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -180.853675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.853675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.853675 (E_RNA)
where:
Base-Base interactions energy: -113.104
where: short stacking energy: -54.124
Base-Backbone interact. energy: -0.009
local terms energy: -67.740742
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -14.813
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -14.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -175.024487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.024487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.024487 (E_RNA)
where:
Base-Base interactions energy: -105.573
where: short stacking energy: -45.383
Base-Backbone interact. energy: -0.212
local terms energy: -69.239033
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -15.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -126.327147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.327147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.327147 (E_RNA)
where:
Base-Base interactions energy: -66.945
where: short stacking energy: -33.014
Base-Backbone interact. energy: 0.169
local terms energy: -59.551963
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -12.179
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -11.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -85.372631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.372631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.372631 (E_RNA)
where:
Base-Base interactions energy: -40.219
where: short stacking energy: -24.316
Base-Backbone interact. energy: -0.061
local terms energy: -45.092735
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.961
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: 0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -74.617069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.617069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.617069 (E_RNA)
where:
Base-Base interactions energy: -29.831
where: short stacking energy: -15.535
Base-Backbone interact. energy: -0.229
local terms energy: -44.556930
where:
bonds (distance) C4'-P energy: -10.851
bonds (distance) P-C4' energy: -9.604
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: 1.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -223.987002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.987002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.987002 (E_RNA)
where:
Base-Base interactions energy: -148.485
where: short stacking energy: -68.088
Base-Backbone interact. energy: -0.050
local terms energy: -75.451750
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -4.790
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -222.435950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.435950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.435950 (E_RNA)
where:
Base-Base interactions energy: -144.936
where: short stacking energy: -71.640
Base-Backbone interact. energy: -0.001
local terms energy: -77.499223
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -17.586
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -19.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -190.999216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.999216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.999216 (E_RNA)
where:
Base-Base interactions energy: -127.324
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.052
local terms energy: -63.624038
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -12.935
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: 99
Temperature: 1.050000
Total energy: -218.146984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.146984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.146984 (E_RNA)
where:
Base-Base interactions energy: -143.103
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.267
local terms energy: -74.776116
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -16.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -187.670756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.670756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.670756 (E_RNA)
where:
Base-Base interactions energy: -117.194
where: short stacking energy: -53.344
Base-Backbone interact. energy: -0.003
local terms energy: -70.474185
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -18.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -176.593245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.593245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.593245 (E_RNA)
where:
Base-Base interactions energy: -112.326
where: short stacking energy: -52.880
Base-Backbone interact. energy: -0.114
local terms energy: -64.153379
where:
bonds (distance) C4'-P energy: -13.912
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -6.216
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -132.042183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.042183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.042183 (E_RNA)
where:
Base-Base interactions energy: -73.304
where: short stacking energy: -39.587
Base-Backbone interact. energy: 0.160
local terms energy: -58.898037
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -14.040
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -9.856
tors. eta vs tors. theta energy: -5.444
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: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -87.312009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.312009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.312009 (E_RNA)
where:
Base-Base interactions energy: -33.164
where: short stacking energy: -33.164
Base-Backbone interact. energy: -0.204
local terms energy: -53.943708
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -11.976
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -3.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -141.285372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.285372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.285372 (E_RNA)
where:
Base-Base interactions energy: -86.138
where: short stacking energy: -42.666
Base-Backbone interact. energy: -0.437
local terms energy: -54.710510
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -10.485
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -5.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -79.141584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.141584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.141584 (E_RNA)
where:
Base-Base interactions energy: -28.898
where: short stacking energy: -28.838
Base-Backbone interact. energy: -0.173
local terms energy: -50.070270
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -8.641
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -5.538
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: 10
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -217.417794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.417794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.417794 (E_RNA)
where:
Base-Base interactions energy: -139.036
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.028
local terms energy: -78.353600
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -11.003
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: 2, replica: 7
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -219.122474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.122474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.122474 (E_RNA)
where:
Base-Base interactions energy: -143.525
where: short stacking energy: -66.816
Base-Backbone interact. energy: -0.221
local terms energy: -75.376810
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -17.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -224.149375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.149375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.149375 (E_RNA)
where:
Base-Base interactions energy: -151.555
where: short stacking energy: -64.581
Base-Backbone interact. energy: -0.227
local terms energy: -72.367327
where:
bonds (distance) C4'-P energy: -13.349
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -16.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -190.588743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.588743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.588743 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -64.355
Base-Backbone interact. energy: -0.031
local terms energy: -67.048493
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -8.216
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: 5, replica: 8
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -173.981984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.981984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.981984 (E_RNA)
where:
Base-Base interactions energy: -120.193
where: short stacking energy: -44.965
Base-Backbone interact. energy: -0.518
local terms energy: -53.270483
where:
bonds (distance) C4'-P energy: -7.599
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -13.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -178.593350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.593350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.593350 (E_RNA)
where:
Base-Base interactions energy: -112.798
where: short stacking energy: -55.604
Base-Backbone interact. energy: -0.035
local terms energy: -65.760467
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -12.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -95.630078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.630078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.630078 (E_RNA)
where:
Base-Base interactions energy: -39.657
where: short stacking energy: -37.245
Base-Backbone interact. energy: -0.100
local terms energy: -55.872084
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -15.132
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -81.314939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.314939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.314939 (E_RNA)
where:
Base-Base interactions energy: -36.380
where: short stacking energy: -28.196
Base-Backbone interact. energy: -0.190
local terms energy: -44.745196
where:
bonds (distance) C4'-P energy: -11.674
bonds (distance) P-C4' energy: -9.807
flat angles C4'-P-C4' energy: -9.298
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.557845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.557845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.557845 (E_RNA)
where:
Base-Base interactions energy: -45.988
where: short stacking energy: -25.518
Base-Backbone interact. energy: -0.311
local terms energy: -41.259063
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -8.146
flat angles C4'-P-C4' energy: -11.709
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -0.398
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: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -87.346386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.346386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.346386 (E_RNA)
where:
Base-Base interactions energy: -43.296
where: short stacking energy: -20.094
Base-Backbone interact. energy: 0.195
local terms energy: -44.245052
where:
bonds (distance) C4'-P energy: -13.357
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -4.516
flat angles P-C4'-P energy: -8.411
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: 10
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -236.376686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.376686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.376686 (E_RNA)
where:
Base-Base interactions energy: -156.672
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.256
local terms energy: -79.448315
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -10.810
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: 2, replica: 4
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -227.105296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.105296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.105296 (E_RNA)
where:
Base-Base interactions energy: -159.639
where: short stacking energy: -66.910
Base-Backbone interact. energy: -0.595
local terms energy: -66.871623
where:
bonds (distance) C4'-P energy: -11.680
bonds (distance) P-C4' energy: -11.341
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -222.600401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.600401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.600401 (E_RNA)
where:
Base-Base interactions energy: -147.111
where: short stacking energy: -66.767
Base-Backbone interact. energy: -0.019
local terms energy: -75.470549
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -21.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -194.062704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.062704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.062704 (E_RNA)
where:
Base-Base interactions energy: -127.791
where: short stacking energy: -61.003
Base-Backbone interact. energy: -0.038
local terms energy: -66.233364
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -13.911
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -14.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -194.621204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.621204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.621204 (E_RNA)
where:
Base-Base interactions energy: -112.418
where: short stacking energy: -58.234
Base-Backbone interact. energy: -0.511
local terms energy: -81.692163
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -19.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -164.867678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.867678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.867678 (E_RNA)
where:
Base-Base interactions energy: -104.946
where: short stacking energy: -50.806
Base-Backbone interact. energy: -0.340
local terms energy: -59.582501
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.200
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -12.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -94.763338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.763338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.763338 (E_RNA)
where:
Base-Base interactions energy: -41.090
where: short stacking energy: -33.592
Base-Backbone interact. energy: -0.114
local terms energy: -53.559978
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -14.921
flat angles P-C4'-P energy: -2.459
tors. eta vs tors. theta energy: -6.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.961378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.961378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.961378 (E_RNA)
where:
Base-Base interactions energy: -47.502
where: short stacking energy: -23.230
Base-Backbone interact. energy: 0.213
local terms energy: -44.672487
where:
bonds (distance) C4'-P energy: -10.194
bonds (distance) P-C4' energy: -6.323
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -104.863751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.863751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.863751 (E_RNA)
where:
Base-Base interactions energy: -58.182
where: short stacking energy: -30.128
Base-Backbone interact. energy: -0.096
local terms energy: -46.585627
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -10.132
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: 1.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -85.386177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.386177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.386177 (E_RNA)
where:
Base-Base interactions energy: -40.110
where: short stacking energy: -25.374
Base-Backbone interact. energy: -0.742
local terms energy: -44.533778
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.755
flat angles P-C4'-P energy: -2.927
tors. eta vs tors. theta energy: 0.574
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: 1, replica: 4
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -224.031163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.031163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.031163 (E_RNA)
where:
Base-Base interactions energy: -151.074
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.791
local terms energy: -72.166607
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -15.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -230.844399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.844399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.844399 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -70.897
Base-Backbone interact. energy: -0.124
local terms energy: -82.809675
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -226.727416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.727416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.727416 (E_RNA)
where:
Base-Base interactions energy: -146.425
where: short stacking energy: -72.351
Base-Backbone interact. energy: 0.052
local terms energy: -80.355216
where:
bonds (distance) C4'-P energy: -11.830
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -20.409
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: 1
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -194.638213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.638213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.638213 (E_RNA)
where:
Base-Base interactions energy: -125.559
where: short stacking energy: -53.241
Base-Backbone interact. energy: -0.243
local terms energy: -68.835947
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -19.134
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -16.538
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: 8
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -187.564631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.564631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.564631 (E_RNA)
where:
Base-Base interactions energy: -130.889
where: short stacking energy: -66.682
Base-Backbone interact. energy: -0.132
local terms energy: -56.543740
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -11.833
flat angles P-C4'-P energy: -3.275
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: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -170.105245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.105245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.105245 (E_RNA)
where:
Base-Base interactions energy: -115.575
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.763
local terms energy: -53.767018
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -4.426
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: 7, replica: 5
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -91.665334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.665334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.665334 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -33.887
Base-Backbone interact. energy: -0.258
local terms energy: -49.314680
where:
bonds (distance) C4'-P energy: -8.750
bonds (distance) P-C4' energy: -13.434
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -11.467
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: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -85.315280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.315280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.315280 (E_RNA)
where:
Base-Base interactions energy: -51.311
where: short stacking energy: -27.419
Base-Backbone interact. energy: 0.672
local terms energy: -34.676087
where:
bonds (distance) C4'-P energy: -7.202
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -5.759
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 0.777
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: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -106.999509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.999509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.999509 (E_RNA)
where:
Base-Base interactions energy: -66.248
where: short stacking energy: -25.793
Base-Backbone interact. energy: -0.167
local terms energy: -40.584284
where:
bonds (distance) C4'-P energy: -8.906
bonds (distance) P-C4' energy: -11.928
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -76.375036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.375036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.375036 (E_RNA)
where:
Base-Base interactions energy: -27.348
where: short stacking energy: -4.013
Base-Backbone interact. energy: -0.291
local terms energy: -48.736307
where:
bonds (distance) C4'-P energy: -13.597
bonds (distance) P-C4' energy: -16.954
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -222.788206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.788206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.788206 (E_RNA)
where:
Base-Base interactions energy: -155.497
where: short stacking energy: -68.025
Base-Backbone interact. energy: -0.218
local terms energy: -67.073502
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -8.563
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -225.545661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.545661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.545661 (E_RNA)
where:
Base-Base interactions energy: -155.896
where: short stacking energy: -81.339
Base-Backbone interact. energy: -0.010
local terms energy: -69.640052
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -11.563
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -19.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -224.596859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.596859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.596859 (E_RNA)
where:
Base-Base interactions energy: -145.716
where: short stacking energy: -66.124
Base-Backbone interact. energy: -0.001
local terms energy: -78.879620
where:
bonds (distance) C4'-P energy: -13.481
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -16.888
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -194.406622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.406622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.406622 (E_RNA)
where:
Base-Base interactions energy: -128.850
where: short stacking energy: -53.498
Base-Backbone interact. energy: -0.188
local terms energy: -65.369041
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -12.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -205.784503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.784503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.784503 (E_RNA)
where:
Base-Base interactions energy: -133.377
where: short stacking energy: -63.264
Base-Backbone interact. energy: -0.091
local terms energy: -72.315799
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -17.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -173.560277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.560277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.560277 (E_RNA)
where:
Base-Base interactions energy: -120.689
where: short stacking energy: -54.903
Base-Backbone interact. energy: -1.209
local terms energy: -51.662303
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -5.273
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: 7, replica: 5
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -101.152648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.152648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.152648 (E_RNA)
where:
Base-Base interactions energy: -41.609
where: short stacking energy: -39.813
Base-Backbone interact. energy: -0.099
local terms energy: -59.444973
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -8.432
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: 8, replica: 6
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -91.578567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.578567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.578567 (E_RNA)
where:
Base-Base interactions energy: -42.461
where: short stacking energy: -23.388
Base-Backbone interact. energy: -1.017
local terms energy: -48.100022
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -10.034
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: 9, replica: 9
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -88.420895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420895 (E_RNA)
where:
Base-Base interactions energy: -36.592
where: short stacking energy: -36.041
Base-Backbone interact. energy: -0.100
local terms energy: -51.729304
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -9.614
flat angles P-C4'-P energy: -5.750
tors. eta vs tors. theta energy: -9.742
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: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -85.625289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.625289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.625289 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -25.306
Base-Backbone interact. energy: -0.331
local terms energy: -52.489570
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.029
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -1.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -235.779000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.779000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.779000 (E_RNA)
where:
Base-Base interactions energy: -160.233
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.122
local terms energy: -75.423845
where:
bonds (distance) C4'-P energy: -17.783
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -12.607
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: 2, replica: 4
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -220.589730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.589730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.589730 (E_RNA)
where:
Base-Base interactions energy: -150.671
where: short stacking energy: -68.471
Base-Backbone interact. energy: 1.503
local terms energy: -71.421748
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.369
tors. eta vs tors. theta energy: -16.916
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: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -217.756458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.756458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.756458 (E_RNA)
where:
Base-Base interactions energy: -141.776
where: short stacking energy: -71.994
Base-Backbone interact. energy: -0.003
local terms energy: -75.977048
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -23.980
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: 104
Temperature: 1.050000
Total energy: -188.987372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.987372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.987372 (E_RNA)
where:
Base-Base interactions energy: -126.458
where: short stacking energy: -62.479
Base-Backbone interact. energy: -0.003
local terms energy: -62.526389
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -11.571
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -12.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -195.134990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.134990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.134990 (E_RNA)
where:
Base-Base interactions energy: -124.880
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.070
local terms energy: -70.184955
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -5.764
tors. eta vs tors. theta energy: -17.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -182.332860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.332860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.332860 (E_RNA)
where:
Base-Base interactions energy: -124.945
where: short stacking energy: -50.448
Base-Backbone interact. energy: -0.194
local terms energy: -57.194806
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -12.190
flat angles P-C4'-P energy: -0.511
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -102.080129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.080129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.080129 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -43.000
Base-Backbone interact. energy: -0.002
local terms energy: -59.077755
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -7.283
tors. eta vs tors. theta energy: -10.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -76.791602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.791602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.791602 (E_RNA)
where:
Base-Base interactions energy: -27.711
where: short stacking energy: -25.964
Base-Backbone interact. energy: -0.609
local terms energy: -48.472443
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -9.449
flat angles P-C4'-P energy: -10.766
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: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -96.512379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512379 (E_RNA)
where:
Base-Base interactions energy: -49.113
where: short stacking energy: -33.467
Base-Backbone interact. energy: -0.333
local terms energy: -47.066686
where:
bonds (distance) C4'-P energy: -11.592
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -1.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -73.157729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.157729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.157729 (E_RNA)
where:
Base-Base interactions energy: -28.719
where: short stacking energy: -28.719
Base-Backbone interact. energy: 0.035
local terms energy: -44.473895
where:
bonds (distance) C4'-P energy: -9.481
bonds (distance) P-C4' energy: -12.612
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -231.785141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.785141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.785141 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -78.856
Base-Backbone interact. energy: -0.636
local terms energy: -78.388562
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -14.147
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -13.660
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: 2, replica: 7
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -223.363558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.363558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.363558 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -67.383
Base-Backbone interact. energy: -0.086
local terms energy: -73.237558
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -19.040
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: 4
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -209.045492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.045492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.045492 (E_RNA)
where:
Base-Base interactions energy: -138.113
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.737
local terms energy: -70.195128
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -195.914463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.914463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.914463 (E_RNA)
where:
Base-Base interactions energy: -128.514
where: short stacking energy: -53.913
Base-Backbone interact. energy: -0.269
local terms energy: -67.131552
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -12.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -198.691507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.691507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.691507 (E_RNA)
where:
Base-Base interactions energy: -135.914
where: short stacking energy: -60.270
Base-Backbone interact. energy: -0.684
local terms energy: -62.093383
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -10.487
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -14.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -184.021017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.021017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.021017 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -56.177
Base-Backbone interact. energy: 0.531
local terms energy: -66.600707
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -12.580
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -13.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -92.641894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641894 (E_RNA)
where:
Base-Base interactions energy: -42.049
where: short stacking energy: -42.049
Base-Backbone interact. energy: -0.033
local terms energy: -50.559998
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -3.824
tors. eta vs tors. theta energy: -8.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -80.488943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.488943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.488943 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -30.857
Base-Backbone interact. energy: -0.035
local terms energy: -43.196911
where:
bonds (distance) C4'-P energy: -7.362
bonds (distance) P-C4' energy: -12.102
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -3.933
tors. eta vs tors. theta energy: -7.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -88.584720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.584720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.584720 (E_RNA)
where:
Base-Base interactions energy: -35.944
where: short stacking energy: -36.044
Base-Backbone interact. energy: -0.193
local terms energy: -52.447805
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -4.334
flat angles P-C4'-P energy: -9.269
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: 10, replica: 9
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -89.214111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.214111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.214111 (E_RNA)
where:
Base-Base interactions energy: -31.770
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.225
local terms energy: -57.218712
where:
bonds (distance) C4'-P energy: -16.500
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -3.729
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -229.768533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.768533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.768533 (E_RNA)
where:
Base-Base interactions energy: -153.049
where: short stacking energy: -78.361
Base-Backbone interact. energy: -0.002
local terms energy: -76.717937
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -20.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -232.172351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.172351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.172351 (E_RNA)
where:
Base-Base interactions energy: -151.914
where: short stacking energy: -71.301
Base-Backbone interact. energy: -1.204
local terms energy: -79.053666
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.756
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -203.584030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584030 (E_RNA)
where:
Base-Base interactions energy: -130.517
where: short stacking energy: -65.170
Base-Backbone interact. energy: -0.263
local terms energy: -72.803823
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -207.796672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.796672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.796672 (E_RNA)
where:
Base-Base interactions energy: -148.395
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.386
local terms energy: -59.015654
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -9.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -191.355095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.355095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.355095 (E_RNA)
where:
Base-Base interactions energy: -125.798
where: short stacking energy: -54.865
Base-Backbone interact. energy: -0.100
local terms energy: -65.456655
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -5.514
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -180.766177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.766177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.766177 (E_RNA)
where:
Base-Base interactions energy: -119.184
where: short stacking energy: -60.633
Base-Backbone interact. energy: -0.031
local terms energy: -61.550988
where:
bonds (distance) C4'-P energy: -8.666
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: 1.065
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -82.093916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.093916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.093916 (E_RNA)
where:
Base-Base interactions energy: -38.898
where: short stacking energy: -37.305
Base-Backbone interact. energy: -0.093
local terms energy: -43.102777
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -3.476
tors. eta vs tors. theta energy: -3.080
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: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -78.368990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.368990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.368990 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -24.824
Base-Backbone interact. energy: -0.063
local terms energy: -46.658604
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -12.800
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: 0.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -77.878404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.878404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.878404 (E_RNA)
where:
Base-Base interactions energy: -32.734
where: short stacking energy: -30.045
Base-Backbone interact. energy: 0.377
local terms energy: -45.521384
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -6.960
flat angles P-C4'-P energy: -7.520
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: 5
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -76.447591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.447591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.447591 (E_RNA)
where:
Base-Base interactions energy: -33.040
where: short stacking energy: -29.764
Base-Backbone interact. energy: 0.368
local terms energy: -43.775710
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -10.233
flat angles C4'-P-C4' energy: -8.810
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -3.306
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: 107
Temperature: 0.900000
Total energy: -230.648812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.648812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.648812 (E_RNA)
where:
Base-Base interactions energy: -154.047
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.024
local terms energy: -76.578046
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -20.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -214.896593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.896593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.896593 (E_RNA)
where:
Base-Base interactions energy: -150.485
where: short stacking energy: -62.218
Base-Backbone interact. energy: -0.567
local terms energy: -63.844539
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -8.910
flat angles P-C4'-P energy: -8.724
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: 3, replica: 7
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -221.133752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.133752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.133752 (E_RNA)
where:
Base-Base interactions energy: -149.042
where: short stacking energy: -69.572
Base-Backbone interact. energy: -0.054
local terms energy: -72.037668
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -10.236
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -8.852
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: 4, replica: 4
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -218.315616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.315616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.315616 (E_RNA)
where:
Base-Base interactions energy: -145.397
where: short stacking energy: -53.155
Base-Backbone interact. energy: -0.486
local terms energy: -72.432286
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -13.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -189.531323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.531323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.531323 (E_RNA)
where:
Base-Base interactions energy: -125.371
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.147
local terms energy: -64.013281
where:
bonds (distance) C4'-P energy: -13.171
bonds (distance) P-C4' energy: -11.722
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: -14.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -177.774514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.774514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.774514 (E_RNA)
where:
Base-Base interactions energy: -117.629
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.325
local terms energy: -59.820206
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -7.723
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: 7, replica: 6
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -92.255753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.255753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.255753 (E_RNA)
where:
Base-Base interactions energy: -39.665
where: short stacking energy: -32.788
Base-Backbone interact. energy: -0.093
local terms energy: -52.498450
where:
bonds (distance) C4'-P energy: -10.638
bonds (distance) P-C4' energy: -15.109
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -6.861
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: 107
Temperature: 1.250000
Total energy: -88.492885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.492885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.492885 (E_RNA)
where:
Base-Base interactions energy: -33.609
where: short stacking energy: -32.416
Base-Backbone interact. energy: -0.422
local terms energy: -54.461510
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -13.522
flat angles P-C4'-P energy: -7.924
tors. eta vs tors. theta energy: -4.974
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: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -81.729853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.729853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.729853 (E_RNA)
where:
Base-Base interactions energy: -27.373
where: short stacking energy: -25.862
Base-Backbone interact. energy: -0.525
local terms energy: -53.831825
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -6.974
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -4.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -69.951885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.951885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.951885 (E_RNA)
where:
Base-Base interactions energy: -27.786
where: short stacking energy: -27.786
Base-Backbone interact. energy: -0.290
local terms energy: -41.875816
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -4.447
flat angles P-C4'-P energy: -9.863
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: 1, replica: 8
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -220.981773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.981773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.981773 (E_RNA)
where:
Base-Base interactions energy: -147.183
where: short stacking energy: -62.266
Base-Backbone interact. energy: 0.342
local terms energy: -74.141026
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -16.683
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: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -226.347848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.347848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.347848 (E_RNA)
where:
Base-Base interactions energy: -150.122
where: short stacking energy: -77.200
Base-Backbone interact. energy: -0.021
local terms energy: -76.204581
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -12.587
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: 3, replica: 7
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -231.758223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.758223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.758223 (E_RNA)
where:
Base-Base interactions energy: -152.141
where: short stacking energy: -71.507
Base-Backbone interact. energy: -0.056
local terms energy: -79.561295
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.132
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -202.686791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.686791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.686791 (E_RNA)
where:
Base-Base interactions energy: -136.147
where: short stacking energy: -48.247
Base-Backbone interact. energy: 0.265
local terms energy: -66.804521
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -176.039532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.039532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.039532 (E_RNA)
where:
Base-Base interactions energy: -114.497
where: short stacking energy: -46.319
Base-Backbone interact. energy: -0.135
local terms energy: -61.407644
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -12.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -193.640028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.640028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.640028 (E_RNA)
where:
Base-Base interactions energy: -130.863
where: short stacking energy: -59.757
Base-Backbone interact. energy: 2.638
local terms energy: -65.415552
where:
bonds (distance) C4'-P energy: -8.646
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -11.593
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -15.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -107.110584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.110584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.110584 (E_RNA)
where:
Base-Base interactions energy: -51.693
where: short stacking energy: -51.693
Base-Backbone interact. energy: -0.077
local terms energy: -55.340541
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -10.661
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -8.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -91.503197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503197 (E_RNA)
where:
Base-Base interactions energy: -33.075
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.041
local terms energy: -58.386493
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.155
tors. eta vs tors. theta energy: -7.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -79.482831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.482831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.482831 (E_RNA)
where:
Base-Base interactions energy: -40.862
where: short stacking energy: -16.482
Base-Backbone interact. energy: -0.377
local terms energy: -38.243377
where:
bonds (distance) C4'-P energy: -18.064
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -0.647
tors. eta vs tors. theta energy: 7.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -82.144219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.144219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.144219 (E_RNA)
where:
Base-Base interactions energy: -28.179
where: short stacking energy: -28.479
Base-Backbone interact. energy: -0.229
local terms energy: -53.736865
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -10.287
tors. eta vs tors. theta energy: -8.496
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: 8
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -220.325333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.325333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.325333 (E_RNA)
where:
Base-Base interactions energy: -151.959
where: short stacking energy: -63.097
Base-Backbone interact. energy: -0.475
local terms energy: -67.890861
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -5.459
tors. eta vs tors. theta energy: -15.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -224.832342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.832342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.832342 (E_RNA)
where:
Base-Base interactions energy: -151.222
where: short stacking energy: -72.420
Base-Backbone interact. energy: -0.603
local terms energy: -73.007804
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -9.178
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -209.223487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.223487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.223487 (E_RNA)
where:
Base-Base interactions energy: -134.262
where: short stacking energy: -65.651
Base-Backbone interact. energy: -0.203
local terms energy: -74.758065
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -13.466
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -10.798
tors. eta vs tors. theta energy: -18.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -206.884847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.884847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.884847 (E_RNA)
where:
Base-Base interactions energy: -137.252
where: short stacking energy: -61.668
Base-Backbone interact. energy: -0.600
local terms energy: -69.032807
where:
bonds (distance) C4'-P energy: -8.597
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -207.525541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.525541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.525541 (E_RNA)
where:
Base-Base interactions energy: -142.571
where: short stacking energy: -63.518
Base-Backbone interact. energy: -0.429
local terms energy: -64.524653
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -10.400
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -8.205
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: 6, replica: 1
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -185.755300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.755300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.755300 (E_RNA)
where:
Base-Base interactions energy: -124.429
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.004
local terms energy: -61.323127
where:
bonds (distance) C4'-P energy: -9.743
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -13.728
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: 9
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -89.106004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.106004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.106004 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -21.536
Base-Backbone interact. energy: -0.202
local terms energy: -53.283823
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: 4.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -111.375749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.375749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.375749 (E_RNA)
where:
Base-Base interactions energy: -66.096
where: short stacking energy: -40.209
Base-Backbone interact. energy: 0.245
local terms energy: -45.524088
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -11.764
flat angles P-C4'-P energy: -5.460
tors. eta vs tors. theta energy: -2.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -82.664912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.664912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.664912 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -30.266
Base-Backbone interact. energy: 0.426
local terms energy: -45.184128
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -13.612
flat angles C4'-P-C4' energy: -13.411
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -1.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -87.626430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.626430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.626430 (E_RNA)
where:
Base-Base interactions energy: -37.475
where: short stacking energy: -35.362
Base-Backbone interact. energy: 1.161
local terms energy: -51.312457
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -4.271
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: 1, replica: 7
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -235.862814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.862814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.862814 (E_RNA)
where:
Base-Base interactions energy: -157.232
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.027
local terms energy: -78.603836
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.530
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: 2, replica: 8
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -214.027681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.027681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.027681 (E_RNA)
where:
Base-Base interactions energy: -145.176
where: short stacking energy: -58.568
Base-Backbone interact. energy: -0.285
local terms energy: -68.566767
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -11.277
tors. eta vs tors. theta energy: -15.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -210.355151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.355151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.355151 (E_RNA)
where:
Base-Base interactions energy: -140.893
where: short stacking energy: -70.324
Base-Backbone interact. energy: 0.276
local terms energy: -69.738479
where:
bonds (distance) C4'-P energy: -8.145
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -18.333
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: 4, replica: 10
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -227.616334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.616334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.616334 (E_RNA)
where:
Base-Base interactions energy: -147.790
where: short stacking energy: -78.160
Base-Backbone interact. energy: -0.412
local terms energy: -79.414578
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -20.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -208.070163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.070163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.070163 (E_RNA)
where:
Base-Base interactions energy: -137.116
where: short stacking energy: -65.886
Base-Backbone interact. energy: -0.477
local terms energy: -70.476912
where:
bonds (distance) C4'-P energy: -12.728
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -12.672
tors. eta vs tors. theta energy: -17.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -175.593244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.593244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.593244 (E_RNA)
where:
Base-Base interactions energy: -113.077
where: short stacking energy: -50.404
Base-Backbone interact. energy: -0.002
local terms energy: -62.514588
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -10.282
flat angles C4'-P-C4' energy: -15.486
flat angles P-C4'-P energy: -8.124
tors. eta vs tors. theta energy: -16.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -98.323615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.323615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.323615 (E_RNA)
where:
Base-Base interactions energy: -41.515
where: short stacking energy: -41.492
Base-Backbone interact. energy: -0.098
local terms energy: -56.711194
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -11.386
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -6.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -82.386934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.386934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.386934 (E_RNA)
where:
Base-Base interactions energy: -29.324
where: short stacking energy: -16.452
Base-Backbone interact. energy: -0.253
local terms energy: -52.809782
where:
bonds (distance) C4'-P energy: -18.040
bonds (distance) P-C4' energy: -13.543
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -8.409
tors. eta vs tors. theta energy: -0.150
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: 3
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -80.841827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.841827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.841827 (E_RNA)
where:
Base-Base interactions energy: -38.471
where: short stacking energy: -27.320
Base-Backbone interact. energy: -0.385
local terms energy: -41.986075
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -13.041
flat angles P-C4'-P energy: 1.523
tors. eta vs tors. theta energy: -4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -76.395992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.395992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.395992 (E_RNA)
where:
Base-Base interactions energy: -28.876
where: short stacking energy: -28.876
Base-Backbone interact. energy: -0.134
local terms energy: -47.385678
where:
bonds (distance) C4'-P energy: -13.337
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -7.564
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -1.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -223.763137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.763137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.763137 (E_RNA)
where:
Base-Base interactions energy: -144.777
where: short stacking energy: -72.518
Base-Backbone interact. energy: -0.412
local terms energy: -78.573928
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -8.999
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: 2, replica: 8
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -217.977798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.977798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.977798 (E_RNA)
where:
Base-Base interactions energy: -153.778
where: short stacking energy: -68.930
Base-Backbone interact. energy: -0.003
local terms energy: -64.195990
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -12.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -192.662334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662334 (E_RNA)
where:
Base-Base interactions energy: -129.379
where: short stacking energy: -65.241
Base-Backbone interact. energy: 2.186
local terms energy: -65.469419
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -11.145
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: 10
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -214.803258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.803258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.803258 (E_RNA)
where:
Base-Base interactions energy: -141.462
where: short stacking energy: -65.699
Base-Backbone interact. energy: -0.019
local terms energy: -73.322528
where:
bonds (distance) C4'-P energy: -13.688
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -8.353
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: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -206.447900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447900 (E_RNA)
where:
Base-Base interactions energy: -139.007
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.172
local terms energy: -67.269288
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -13.428
flat angles P-C4'-P energy: -11.098
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: 1
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -182.160015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.160015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.160015 (E_RNA)
where:
Base-Base interactions energy: -115.605
where: short stacking energy: -52.732
Base-Backbone interact. energy: -0.014
local terms energy: -66.541304
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -13.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -86.847847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.847847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.847847 (E_RNA)
where:
Base-Base interactions energy: -29.029
where: short stacking energy: -24.029
Base-Backbone interact. energy: -0.011
local terms energy: -57.807948
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.288
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: 8, replica: 3
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -96.613730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.613730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.613730 (E_RNA)
where:
Base-Base interactions energy: -47.722
where: short stacking energy: -12.100
Base-Backbone interact. energy: -0.257
local terms energy: -48.634597
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -6.357
tors. eta vs tors. theta energy: 1.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -79.822460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.822460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.822460 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -18.148
Base-Backbone interact. energy: -0.394
local terms energy: -45.695703
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -5.222
flat angles P-C4'-P energy: -9.568
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: 10, replica: 6
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -77.529409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.529409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.529409 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -24.306
Base-Backbone interact. energy: -0.220
local terms energy: -46.876309
where:
bonds (distance) C4'-P energy: -10.032
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: 3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -232.090689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.090689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.090689 (E_RNA)
where:
Base-Base interactions energy: -146.818
where: short stacking energy: -71.631
Base-Backbone interact. energy: -0.281
local terms energy: -84.990932
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -13.018
tors. eta vs tors. theta energy: -23.779
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: 8
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -213.026082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.026082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.026082 (E_RNA)
where:
Base-Base interactions energy: -145.045
where: short stacking energy: -60.127
Base-Backbone interact. energy: -0.100
local terms energy: -67.881079
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -6.567
tors. eta vs tors. theta energy: -13.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -227.144368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.144368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.144368 (E_RNA)
where:
Base-Base interactions energy: -150.686
where: short stacking energy: -73.384
Base-Backbone interact. energy: -0.648
local terms energy: -75.809943
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -24.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -195.954899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.954899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.954899 (E_RNA)
where:
Base-Base interactions energy: -130.108
where: short stacking energy: -63.047
Base-Backbone interact. energy: -0.022
local terms energy: -65.824621
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -183.702997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.702997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.702997 (E_RNA)
where:
Base-Base interactions energy: -120.359
where: short stacking energy: -56.348
Base-Backbone interact. energy: -0.424
local terms energy: -62.919848
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -11.798
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -16.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -200.669865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.669865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.669865 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -65.815
Base-Backbone interact. energy: 5.764
local terms energy: -62.505762
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -9.246
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -100.289017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.289017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.289017 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -39.883
Base-Backbone interact. energy: -0.677
local terms energy: -57.426346
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.385
flat angles P-C4'-P energy: -5.090
tors. eta vs tors. theta energy: -9.293
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: 8, replica: 5
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -123.095610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.095610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.095610 (E_RNA)
where:
Base-Base interactions energy: -65.659
where: short stacking energy: -34.348
Base-Backbone interact. energy: -0.361
local terms energy: -57.075393
where:
bonds (distance) C4'-P energy: -10.583
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -5.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -85.955382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.955382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.955382 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -19.430
Base-Backbone interact. energy: 0.551
local terms energy: -51.366209
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -14.717
flat angles P-C4'-P energy: -6.401
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: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -78.722804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.722804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.722804 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -26.007
Base-Backbone interact. energy: -0.159
local terms energy: -48.355491
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -10.474
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: 1, replica: 7
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -235.403701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.403701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.403701 (E_RNA)
where:
Base-Base interactions energy: -155.850
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.467
local terms energy: -79.087533
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.534
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -7.521
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -224.367133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.367133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.367133 (E_RNA)
where:
Base-Base interactions energy: -141.967
where: short stacking energy: -66.292
Base-Backbone interact. energy: -0.001
local terms energy: -82.399072
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.192
tors. eta vs tors. theta energy: -21.887
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: 8
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -195.754680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.754680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.754680 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -53.199
Base-Backbone interact. energy: -0.351
local terms energy: -64.830954
where:
bonds (distance) C4'-P energy: -11.330
bonds (distance) P-C4' energy: -16.484
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -189.146269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.146269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.146269 (E_RNA)
where:
Base-Base interactions energy: -119.794
where: short stacking energy: -51.598
Base-Backbone interact. energy: -0.787
local terms energy: -68.564704
where:
bonds (distance) C4'-P energy: -13.213
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -8.834
tors. eta vs tors. theta energy: -11.961
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: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -196.845516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.845516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.845516 (E_RNA)
where:
Base-Base interactions energy: -127.330
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.056
local terms energy: -69.459954
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.465
tors. eta vs tors. theta energy: -13.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -196.612488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.612488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.612488 (E_RNA)
where:
Base-Base interactions energy: -121.190
where: short stacking energy: -57.736
Base-Backbone interact. energy: -1.029
local terms energy: -74.394347
where:
bonds (distance) C4'-P energy: -14.566
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -13.366
tors. eta vs tors. theta energy: -14.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -116.093544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.093544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.093544 (E_RNA)
where:
Base-Base interactions energy: -61.440
where: short stacking energy: -24.838
Base-Backbone interact. energy: -2.340
local terms energy: -52.313487
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -1.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -88.134421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.134421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.134421 (E_RNA)
where:
Base-Base interactions energy: -37.732
where: short stacking energy: -34.755
Base-Backbone interact. energy: -0.023
local terms energy: -50.379616
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.436
flat angles C4'-P-C4' energy: -11.365
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -2.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -102.731584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.731584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.731584 (E_RNA)
where:
Base-Base interactions energy: -55.506
where: short stacking energy: -32.689
Base-Backbone interact. energy: -0.105
local terms energy: -47.120449
where:
bonds (distance) C4'-P energy: -11.431
bonds (distance) P-C4' energy: -11.495
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -4.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -85.365645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.365645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.365645 (E_RNA)
where:
Base-Base interactions energy: -36.828
where: short stacking energy: -20.306
Base-Backbone interact. energy: -0.235
local terms energy: -48.301829
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -7.829
flat angles P-C4'-P energy: -4.783
tors. eta vs tors. theta energy: -5.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -231.767474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.767474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.767474 (E_RNA)
where:
Base-Base interactions energy: -149.355
where: short stacking energy: -68.786
Base-Backbone interact. energy: -0.286
local terms energy: -82.126761
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -16.047
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -230.586412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.586412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.586412 (E_RNA)
where:
Base-Base interactions energy: -151.030
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.002
local terms energy: -79.554642
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.089
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -194.885660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.885660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.885660 (E_RNA)
where:
Base-Base interactions energy: -127.947
where: short stacking energy: -53.041
Base-Backbone interact. energy: -0.144
local terms energy: -66.795082
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.378
flat angles P-C4'-P energy: -9.164
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -190.316506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.316506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.316506 (E_RNA)
where:
Base-Base interactions energy: -119.184
where: short stacking energy: -57.303
Base-Backbone interact. energy: -0.002
local terms energy: -71.131101
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -17.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -202.870809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.870809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.870809 (E_RNA)
where:
Base-Base interactions energy: -135.837
where: short stacking energy: -60.161
Base-Backbone interact. energy: -0.536
local terms energy: -66.497015
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -9.265
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: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -184.221800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.221800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.221800 (E_RNA)
where:
Base-Base interactions energy: -118.669
where: short stacking energy: -58.404
Base-Backbone interact. energy: -0.013
local terms energy: -65.539429
where:
bonds (distance) C4'-P energy: -9.205
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -16.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -91.777390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.777390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.777390 (E_RNA)
where:
Base-Base interactions energy: -34.158
where: short stacking energy: -33.955
Base-Backbone interact. energy: -0.065
local terms energy: -57.554664
where:
bonds (distance) C4'-P energy: -11.487
bonds (distance) P-C4' energy: -14.649
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -4.367
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: 3
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -84.046137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.046137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.046137 (E_RNA)
where:
Base-Base interactions energy: -28.673
where: short stacking energy: -28.673
Base-Backbone interact. energy: -0.969
local terms energy: -54.403782
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -137.229450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.229450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.229450 (E_RNA)
where:
Base-Base interactions energy: -87.115
where: short stacking energy: -38.073
Base-Backbone interact. energy: -0.334
local terms energy: -49.779934
where:
bonds (distance) C4'-P energy: -10.328
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -3.135
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: 5
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -96.262963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.262963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.262963 (E_RNA)
where:
Base-Base interactions energy: -49.915
where: short stacking energy: -34.713
Base-Backbone interact. energy: 2.505
local terms energy: -48.853199
where:
bonds (distance) C4'-P energy: -7.327
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -14.769
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: -9.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -227.020498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.020498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.020498 (E_RNA)
where:
Base-Base interactions energy: -149.192
where: short stacking energy: -70.374
Base-Backbone interact. energy: -0.012
local terms energy: -77.816513
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -19.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -231.489459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.489459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.489459 (E_RNA)
where:
Base-Base interactions energy: -150.884
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.002
local terms energy: -80.603495
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -21.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -198.224396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.224396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.224396 (E_RNA)
where:
Base-Base interactions energy: -132.256
where: short stacking energy: -51.403
Base-Backbone interact. energy: -0.354
local terms energy: -65.614522
where:
bonds (distance) C4'-P energy: -16.752
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -10.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -204.468172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.468172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.468172 (E_RNA)
where:
Base-Base interactions energy: -131.023
where: short stacking energy: -51.285
Base-Backbone interact. energy: -0.264
local terms energy: -73.181949
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -191.966782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.966782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.966782 (E_RNA)
where:
Base-Base interactions energy: -122.029
where: short stacking energy: -54.527
Base-Backbone interact. energy: -0.144
local terms energy: -69.793301
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -14.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -174.446675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.446675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.446675 (E_RNA)
where:
Base-Base interactions energy: -119.274
where: short stacking energy: -54.733
Base-Backbone interact. energy: -0.022
local terms energy: -55.150727
where:
bonds (distance) C4'-P energy: -12.531
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -4.654
tors. eta vs tors. theta energy: -13.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -90.827708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.827708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.827708 (E_RNA)
where:
Base-Base interactions energy: -36.039
where: short stacking energy: -30.711
Base-Backbone interact. energy: -0.102
local terms energy: -54.686616
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -1.591
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: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -126.892372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.892372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.892372 (E_RNA)
where:
Base-Base interactions energy: -80.374
where: short stacking energy: -27.038
Base-Backbone interact. energy: -1.603
local terms energy: -44.915169
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: 1.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -79.526842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.526842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.526842 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.111
local terms energy: -46.530650
where:
bonds (distance) C4'-P energy: -13.238
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -78.297256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.297256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.297256 (E_RNA)
where:
Base-Base interactions energy: -29.331
where: short stacking energy: -25.763
Base-Backbone interact. energy: 0.109
local terms energy: -49.075066
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -7.641
flat angles P-C4'-P energy: -7.702
tors. eta vs tors. theta energy: -6.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -221.642464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.642464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.642464 (E_RNA)
where:
Base-Base interactions energy: -145.337
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.308
local terms energy: -75.997829
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -11.697
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: 2, replica: 7
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -229.502578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.502578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.502578 (E_RNA)
where:
Base-Base interactions energy: -150.842
where: short stacking energy: -77.219
Base-Backbone interact. energy: -0.413
local terms energy: -78.247422
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.782
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -218.206180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.206180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.206180 (E_RNA)
where:
Base-Base interactions energy: -142.834
where: short stacking energy: -61.563
Base-Backbone interact. energy: -0.275
local terms energy: -75.097107
where:
bonds (distance) C4'-P energy: -12.442
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -17.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -194.083309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.083309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.083309 (E_RNA)
where:
Base-Base interactions energy: -117.644
where: short stacking energy: -57.779
Base-Backbone interact. energy: -0.130
local terms energy: -76.309612
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -16.510
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -7.343
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -186.098910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.098910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.098910 (E_RNA)
where:
Base-Base interactions energy: -121.568
where: short stacking energy: -57.878
Base-Backbone interact. energy: -0.880
local terms energy: -63.651017
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -9.273
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: 6, replica: 8
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -179.797158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.797158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.797158 (E_RNA)
where:
Base-Base interactions energy: -119.415
where: short stacking energy: -54.675
Base-Backbone interact. energy: 1.003
local terms energy: -61.385247
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -13.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -131.933607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.933607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.933607 (E_RNA)
where:
Base-Base interactions energy: -76.426
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.234
local terms energy: -55.273456
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -5.594
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: 8, replica: 9
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -97.400436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.400436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.400436 (E_RNA)
where:
Base-Base interactions energy: -50.873
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.222
local terms energy: -46.304991
where:
bonds (distance) C4'-P energy: -7.690
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -0.112
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: 3
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -86.523002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523002 (E_RNA)
where:
Base-Base interactions energy: -33.276
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.329
local terms energy: -52.917988
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -6.825
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -6.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -77.114439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.114439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.114439 (E_RNA)
where:
Base-Base interactions energy: -29.867
where: short stacking energy: -26.568
Base-Backbone interact. energy: 0.982
local terms energy: -48.228825
where:
bonds (distance) C4'-P energy: -7.755
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -10.605
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -228.226628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.226628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.226628 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -72.607
Base-Backbone interact. energy: -0.124
local terms energy: -75.793727
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -19.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -217.178203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.178203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.178203 (E_RNA)
where:
Base-Base interactions energy: -147.966
where: short stacking energy: -62.925
Base-Backbone interact. energy: -0.511
local terms energy: -68.701019
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -8.469
tors. eta vs tors. theta energy: -15.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -226.702338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.702338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.702338 (E_RNA)
where:
Base-Base interactions energy: -147.325
where: short stacking energy: -71.778
Base-Backbone interact. energy: -0.001
local terms energy: -79.375965
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -18.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -182.719662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.719662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.719662 (E_RNA)
where:
Base-Base interactions energy: -120.684
where: short stacking energy: -61.166
Base-Backbone interact. energy: -0.047
local terms energy: -61.988002
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -9.287
flat angles P-C4'-P energy: -7.617
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -186.088843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.088843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.088843 (E_RNA)
where:
Base-Base interactions energy: -124.172
where: short stacking energy: -55.048
Base-Backbone interact. energy: -0.458
local terms energy: -61.459282
where:
bonds (distance) C4'-P energy: -12.566
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -14.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -167.813372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.813372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.813372 (E_RNA)
where:
Base-Base interactions energy: -109.849
where: short stacking energy: -43.557
Base-Backbone interact. energy: -0.102
local terms energy: -57.861731
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -10.500
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -9.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -163.548357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.548357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.548357 (E_RNA)
where:
Base-Base interactions energy: -104.279
where: short stacking energy: -49.500
Base-Backbone interact. energy: 0.800
local terms energy: -60.068812
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -15.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -84.540472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.540472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.540472 (E_RNA)
where:
Base-Base interactions energy: -39.577
where: short stacking energy: -22.928
Base-Backbone interact. energy: 0.319
local terms energy: -45.283004
where:
bonds (distance) C4'-P energy: -9.587
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -0.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -103.182279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.182279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.182279 (E_RNA)
where:
Base-Base interactions energy: -49.086
where: short stacking energy: -24.092
Base-Backbone interact. energy: -0.245
local terms energy: -53.851632
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -11.809
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -3.732
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: 5
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -77.841404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.841404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.841404 (E_RNA)
where:
Base-Base interactions energy: -26.529
where: short stacking energy: -21.615
Base-Backbone interact. energy: -0.189
local terms energy: -51.123313
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -12.690
flat angles P-C4'-P energy: -7.425
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: 1, replica: 4
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -218.979402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.979402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.979402 (E_RNA)
where:
Base-Base interactions energy: -140.899
where: short stacking energy: -64.364
Base-Backbone interact. energy: -0.306
local terms energy: -77.774012
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -17.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -225.017867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.017867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.017867 (E_RNA)
where:
Base-Base interactions energy: -146.441
where: short stacking energy: -69.422
Base-Backbone interact. energy: -0.057
local terms energy: -78.520172
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -8.554
tors. eta vs tors. theta energy: -19.664
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: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -220.941891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.941891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.941891 (E_RNA)
where:
Base-Base interactions energy: -149.475
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.892
local terms energy: -70.575419
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -6.507
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: 1
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -185.905869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.905869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.905869 (E_RNA)
where:
Base-Base interactions energy: -119.491
where: short stacking energy: -55.023
Base-Backbone interact. energy: -0.001
local terms energy: -66.413009
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.038
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -183.879468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.879468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.879468 (E_RNA)
where:
Base-Base interactions energy: -120.896
where: short stacking energy: -56.137
Base-Backbone interact. energy: -0.197
local terms energy: -62.786001
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -8.915
tors. eta vs tors. theta energy: -12.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -170.771220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.771220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.771220 (E_RNA)
where:
Base-Base interactions energy: -117.755
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.313
local terms energy: -52.703234
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -11.176
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -7.547
tors. eta vs tors. theta energy: -6.085
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: 118
Temperature: 1.200000
Total energy: -169.649301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.649301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.649301 (E_RNA)
where:
Base-Base interactions energy: -111.035
where: short stacking energy: -49.358
Base-Backbone interact. energy: -0.078
local terms energy: -58.536747
where:
bonds (distance) C4'-P energy: -10.927
bonds (distance) P-C4' energy: -11.673
flat angles C4'-P-C4' energy: -11.440
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -14.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -75.473068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.473068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.473068 (E_RNA)
where:
Base-Base interactions energy: -33.456
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.174
local terms energy: -41.843559
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -8.051
flat angles P-C4'-P energy: -5.325
tors. eta vs tors. theta energy: -1.649
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: 118
Temperature: 1.300000
Total energy: -81.696065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.696065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.696065 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -27.061
Base-Backbone interact. energy: -0.183
local terms energy: -41.051634
where:
bonds (distance) C4'-P energy: -6.828
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -88.067843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.067843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.067843 (E_RNA)
where:
Base-Base interactions energy: -39.585
where: short stacking energy: -28.088
Base-Backbone interact. energy: -0.528
local terms energy: -47.954485
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: 1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -218.668209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.668209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.668209 (E_RNA)
where:
Base-Base interactions energy: -144.071
where: short stacking energy: -72.375
Base-Backbone interact. energy: 1.873
local terms energy: -76.469938
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.291
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: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -222.974622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.974622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.974622 (E_RNA)
where:
Base-Base interactions energy: -143.062
where: short stacking energy: -61.250
Base-Backbone interact. energy: -0.033
local terms energy: -79.880194
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -9.914
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: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -212.077824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.077824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.077824 (E_RNA)
where:
Base-Base interactions energy: -137.338
where: short stacking energy: -63.959
Base-Backbone interact. energy: -0.069
local terms energy: -74.670059
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -8.569
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: 4, replica: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -183.951669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.951669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.951669 (E_RNA)
where:
Base-Base interactions energy: -120.794
where: short stacking energy: -56.276
Base-Backbone interact. energy: -0.170
local terms energy: -62.987004
where:
bonds (distance) C4'-P energy: -8.856
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -12.907
tors. eta vs tors. theta energy: -11.589
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: 1
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -187.344253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.344253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.344253 (E_RNA)
where:
Base-Base interactions energy: -126.377
where: short stacking energy: -62.642
Base-Backbone interact. energy: -0.021
local terms energy: -60.945972
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -11.573
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -6.731
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: 6, replica: 6
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -184.817015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.817015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.817015 (E_RNA)
where:
Base-Base interactions energy: -112.224
where: short stacking energy: -59.024
Base-Backbone interact. energy: -0.043
local terms energy: -72.549688
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -14.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -181.374646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.374646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.374646 (E_RNA)
where:
Base-Base interactions energy: -126.238
where: short stacking energy: -48.087
Base-Backbone interact. energy: -0.081
local terms energy: -55.055609
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -8.213
flat angles P-C4'-P energy: -9.306
tors. eta vs tors. theta energy: -11.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -85.823385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.823385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.823385 (E_RNA)
where:
Base-Base interactions energy: -38.208
where: short stacking energy: -23.636
Base-Backbone interact. energy: -0.182
local terms energy: -47.433348
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -10.368
flat angles P-C4'-P energy: -9.109
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: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -80.660022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.660022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.660022 (E_RNA)
where:
Base-Base interactions energy: -28.770
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.143
local terms energy: -51.746225
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -84.474925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.474925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.474925 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -22.052
Base-Backbone interact. energy: -0.251
local terms energy: -46.670506
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -14.469
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -3.149
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -230.422066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.422066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.422066 (E_RNA)
where:
Base-Base interactions energy: -154.297
where: short stacking energy: -73.848
Base-Backbone interact. energy: -0.040
local terms energy: -76.084483
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -22.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -215.476890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.476890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.476890 (E_RNA)
where:
Base-Base interactions energy: -145.808
where: short stacking energy: -64.742
Base-Backbone interact. energy: -0.696
local terms energy: -68.972303
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: -13.411
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: 2
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -189.765465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.765465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.765465 (E_RNA)
where:
Base-Base interactions energy: -115.734
where: short stacking energy: -64.910
Base-Backbone interact. energy: -0.446
local terms energy: -73.585427
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -18.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -218.826432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.826432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.826432 (E_RNA)
where:
Base-Base interactions energy: -142.909
where: short stacking energy: -70.119
Base-Backbone interact. energy: -0.016
local terms energy: -75.901223
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -10.678
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -21.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -185.549648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.549648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.549648 (E_RNA)
where:
Base-Base interactions energy: -117.232
where: short stacking energy: -56.486
Base-Backbone interact. energy: -0.039
local terms energy: -68.279488
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -14.417
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -13.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -181.873416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.873416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.873416 (E_RNA)
where:
Base-Base interactions energy: -118.452
where: short stacking energy: -51.796
Base-Backbone interact. energy: -0.486
local terms energy: -62.936338
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -6.707
tors. eta vs tors. theta energy: -9.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -173.178655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.178655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.178655 (E_RNA)
where:
Base-Base interactions energy: -107.892
where: short stacking energy: -51.399
Base-Backbone interact. energy: 1.380
local terms energy: -66.667393
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -11.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -97.900935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.900935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.900935 (E_RNA)
where:
Base-Base interactions energy: -45.427
where: short stacking energy: -33.413
Base-Backbone interact. energy: -0.083
local terms energy: -52.390739
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -7.580
tors. eta vs tors. theta energy: -7.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -91.066809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.066809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.066809 (E_RNA)
where:
Base-Base interactions energy: -40.650
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.278
local terms energy: -50.138883
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -11.284
flat angles C4'-P-C4' energy: -14.624
flat angles P-C4'-P energy: -4.492
tors. eta vs tors. theta energy: -5.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -81.445627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.445627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.445627 (E_RNA)
where:
Base-Base interactions energy: -28.164
where: short stacking energy: -26.848
Base-Backbone interact. energy: -0.487
local terms energy: -52.794006
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -14.593
flat angles P-C4'-P energy: -5.762
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: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -230.655968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.655968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.655968 (E_RNA)
where:
Base-Base interactions energy: -148.476
where: short stacking energy: -79.035
Base-Backbone interact. energy: -0.001
local terms energy: -82.178727
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -16.061
flat angles P-C4'-P energy: -12.884
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: 4
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -210.676295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.676295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.676295 (E_RNA)
where:
Base-Base interactions energy: -138.929
where: short stacking energy: -61.074
Base-Backbone interact. energy: -0.299
local terms energy: -71.447744
where:
bonds (distance) C4'-P energy: -13.370
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -15.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -199.797299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.797299 (E_RNA)
where:
Base-Base interactions energy: -140.045
where: short stacking energy: -55.453
Base-Backbone interact. energy: 0.001
local terms energy: -59.752780
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -12.485
flat angles P-C4'-P energy: -7.380
tors. eta vs tors. theta energy: -11.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -219.651927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.651927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.651927 (E_RNA)
where:
Base-Base interactions energy: -148.808
where: short stacking energy: -71.024
Base-Backbone interact. energy: -0.001
local terms energy: -70.842046
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -9.482
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: 5, replica: 6
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -179.017754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.017754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.017754 (E_RNA)
where:
Base-Base interactions energy: -109.623
where: short stacking energy: -54.153
Base-Backbone interact. energy: -0.040
local terms energy: -69.355026
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -191.861991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.861991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.861991 (E_RNA)
where:
Base-Base interactions energy: -122.576
where: short stacking energy: -67.805
Base-Backbone interact. energy: -0.002
local terms energy: -69.284138
where:
bonds (distance) C4'-P energy: -15.054
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -12.478
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -19.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -172.257050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.257050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.257050 (E_RNA)
where:
Base-Base interactions energy: -107.277
where: short stacking energy: -50.440
Base-Backbone interact. energy: 1.205
local terms energy: -66.184658
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -16.685
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: 3
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -100.658899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.658899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.658899 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -42.377
Base-Backbone interact. energy: -0.411
local terms energy: -56.492305
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -12.390
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.797
tors. eta vs tors. theta energy: -9.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -83.707305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.707305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.707305 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -24.689
Base-Backbone interact. energy: -0.002
local terms energy: -51.287603
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -5.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -82.974110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.974110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.974110 (E_RNA)
where:
Base-Base interactions energy: -34.704
where: short stacking energy: -34.704
Base-Backbone interact. energy: 0.225
local terms energy: -48.495459
where:
bonds (distance) C4'-P energy: -6.560
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -8.049
tors. eta vs tors. theta energy: -5.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -226.739266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.739266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.739266 (E_RNA)
where:
Base-Base interactions energy: -162.229
where: short stacking energy: -68.609
Base-Backbone interact. energy: -0.598
local terms energy: -63.912215
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.364
flat angles P-C4'-P energy: -7.357
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -217.038168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.038168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.038168 (E_RNA)
where:
Base-Base interactions energy: -139.692
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.000
local terms energy: -77.346110
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -21.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -219.198236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.198236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.198236 (E_RNA)
where:
Base-Base interactions energy: -137.880
where: short stacking energy: -67.580
Base-Backbone interact. energy: -1.073
local terms energy: -80.245906
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -18.448
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -21.858
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: 4, replica: 2
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -186.079868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.079868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.079868 (E_RNA)
where:
Base-Base interactions energy: -121.513
where: short stacking energy: -53.758
Base-Backbone interact. energy: -0.009
local terms energy: -64.558360
where:
bonds (distance) C4'-P energy: -14.209
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -183.221601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.221601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.221601 (E_RNA)
where:
Base-Base interactions energy: -116.989
where: short stacking energy: -52.009
Base-Backbone interact. energy: -0.464
local terms energy: -65.768575
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -11.954
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -15.156
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: 6
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -176.609753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.609753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.609753 (E_RNA)
where:
Base-Base interactions energy: -106.952
where: short stacking energy: -48.538
Base-Backbone interact. energy: -0.101
local terms energy: -69.556613
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -13.906
flat angles P-C4'-P energy: -10.526
tors. eta vs tors. theta energy: -14.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -170.170875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.170875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.170875 (E_RNA)
where:
Base-Base interactions energy: -112.514
where: short stacking energy: -52.679
Base-Backbone interact. energy: -0.012
local terms energy: -57.644231
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -14.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -83.191239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191239 (E_RNA)
where:
Base-Base interactions energy: -25.686
where: short stacking energy: -25.686
Base-Backbone interact. energy: -0.135
local terms energy: -57.370712
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -1.180
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: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -73.187452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.187452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.187452 (E_RNA)
where:
Base-Base interactions energy: -19.624
where: short stacking energy: -19.624
Base-Backbone interact. energy: -0.136
local terms energy: -53.428027
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -9.875
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -5.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -73.358579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.358579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.358579 (E_RNA)
where:
Base-Base interactions energy: -27.487
where: short stacking energy: -26.176
Base-Backbone interact. energy: -0.164
local terms energy: -45.708039
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -8.582
flat angles P-C4'-P energy: -3.386
tors. eta vs tors. theta energy: -5.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -231.798758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.798758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.798758 (E_RNA)
where:
Base-Base interactions energy: -168.611
where: short stacking energy: -63.897
Base-Backbone interact. energy: -0.511
local terms energy: -62.676770
where:
bonds (distance) C4'-P energy: -12.814
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -6.837
tors. eta vs tors. theta energy: -15.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -212.327001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.327001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.327001 (E_RNA)
where:
Base-Base interactions energy: -138.631
where: short stacking energy: -60.622
Base-Backbone interact. energy: -0.148
local terms energy: -73.547669
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -18.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -220.731513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.731513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.731513 (E_RNA)
where:
Base-Base interactions energy: -146.113
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.395
local terms energy: -74.223667
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -21.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -190.928632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.928632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.928632 (E_RNA)
where:
Base-Base interactions energy: -128.091
where: short stacking energy: -60.984
Base-Backbone interact. energy: -0.059
local terms energy: -62.778010
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -14.038
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -14.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -179.410261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.410261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.410261 (E_RNA)
where:
Base-Base interactions energy: -118.735
where: short stacking energy: -54.551
Base-Backbone interact. energy: 0.480
local terms energy: -61.155395
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -10.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -181.337207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.337207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.337207 (E_RNA)
where:
Base-Base interactions energy: -111.165
where: short stacking energy: -51.964
Base-Backbone interact. energy: -0.001
local terms energy: -70.170468
where:
bonds (distance) C4'-P energy: -12.406
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -16.896
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -132.567323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.567323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.567323 (E_RNA)
where:
Base-Base interactions energy: -81.343
where: short stacking energy: -44.161
Base-Backbone interact. energy: -0.209
local terms energy: -51.015379
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -10.158
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -8.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -77.925237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.925237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.925237 (E_RNA)
where:
Base-Base interactions energy: -27.323
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.185
local terms energy: -50.417805
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: 1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -80.052226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.052226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.052226 (E_RNA)
where:
Base-Base interactions energy: -32.624
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.141
local terms energy: -47.287400
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -5.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -81.507938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.507938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.507938 (E_RNA)
where:
Base-Base interactions energy: -43.285
where: short stacking energy: -16.421
Base-Backbone interact. energy: -0.162
local terms energy: -38.060929
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.655
flat angles C4'-P-C4' energy: -8.787
flat angles P-C4'-P energy: -5.606
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: 7
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -228.189157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.189157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.189157 (E_RNA)
where:
Base-Base interactions energy: -149.804
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.709
local terms energy: -77.675968
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -10.090
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: 124
Temperature: 0.950000
Total energy: -225.135842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.135842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.135842 (E_RNA)
where:
Base-Base interactions energy: -154.104
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.413
local terms energy: -70.618580
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -9.322
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: 3, replica: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -230.700282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.700282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.700282 (E_RNA)
where:
Base-Base interactions energy: -151.463
where: short stacking energy: -75.934
Base-Backbone interact. energy: -0.004
local terms energy: -79.233051
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -21.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -182.517539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.517539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.517539 (E_RNA)
where:
Base-Base interactions energy: -116.970
where: short stacking energy: -58.327
Base-Backbone interact. energy: -0.013
local terms energy: -65.533965
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -7.128
tors. eta vs tors. theta energy: -17.172
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: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -184.269249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.269249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.269249 (E_RNA)
where:
Base-Base interactions energy: -119.815
where: short stacking energy: -46.981
Base-Backbone interact. energy: 0.193
local terms energy: -64.648083
where:
bonds (distance) C4'-P energy: -11.755
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -12.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -177.659987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.659987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.659987 (E_RNA)
where:
Base-Base interactions energy: -108.336
where: short stacking energy: -54.060
Base-Backbone interact. energy: -0.205
local terms energy: -69.118423
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -17.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -174.087083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.087083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.087083 (E_RNA)
where:
Base-Base interactions energy: -115.667
where: short stacking energy: -52.145
Base-Backbone interact. energy: 4.550
local terms energy: -62.970524
where:
bonds (distance) C4'-P energy: -13.891
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -11.268
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: 8, replica: 9
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -99.998195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.998195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.998195 (E_RNA)
where:
Base-Base interactions energy: -45.691
where: short stacking energy: -45.691
Base-Backbone interact. energy: -0.003
local terms energy: -54.304570
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -11.250
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.557
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -79.016260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.016260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.016260 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -29.652
Base-Backbone interact. energy: -0.030
local terms energy: -49.333982
where:
bonds (distance) C4'-P energy: -8.237
bonds (distance) P-C4' energy: -13.053
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -80.267283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.267283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.267283 (E_RNA)
where:
Base-Base interactions energy: -33.695
where: short stacking energy: -27.274
Base-Backbone interact. energy: -0.037
local terms energy: -46.534831
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -6.962
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -228.659458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.659458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.659458 (E_RNA)
where:
Base-Base interactions energy: -150.845
where: short stacking energy: -73.267
Base-Backbone interact. energy: -0.001
local terms energy: -77.814202
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -9.660
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -232.835069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.835069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.835069 (E_RNA)
where:
Base-Base interactions energy: -155.316
where: short stacking energy: -82.828
Base-Backbone interact. energy: -0.002
local terms energy: -77.516810
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -14.388
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -21.873
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: 3, replica: 4
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -216.627086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.627086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.627086 (E_RNA)
where:
Base-Base interactions energy: -147.258
where: short stacking energy: -65.462
Base-Backbone interact. energy: -0.382
local terms energy: -68.986987
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -9.786
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -193.824089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.824089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.824089 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -53.599
Base-Backbone interact. energy: -0.098
local terms energy: -66.881416
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.310
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -13.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -182.884331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.884331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.884331 (E_RNA)
where:
Base-Base interactions energy: -112.241
where: short stacking energy: -56.809
Base-Backbone interact. energy: -0.004
local terms energy: -70.639415
where:
bonds (distance) C4'-P energy: -13.933
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -9.235
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: 6, replica: 1
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -181.939419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.939419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.939419 (E_RNA)
where:
Base-Base interactions energy: -113.879
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.795
local terms energy: -67.266169
where:
bonds (distance) C4'-P energy: -11.152
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -13.040
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -176.977281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.977281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.977281 (E_RNA)
where:
Base-Base interactions energy: -106.625
where: short stacking energy: -50.563
Base-Backbone interact. energy: -0.347
local terms energy: -70.006107
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -97.278897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.278897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.278897 (E_RNA)
where:
Base-Base interactions energy: -45.054
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.019
local terms energy: -52.205889
where:
bonds (distance) C4'-P energy: -11.407
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -6.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -100.278518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.278518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.278518 (E_RNA)
where:
Base-Base interactions energy: -40.697
where: short stacking energy: -40.025
Base-Backbone interact. energy: 1.166
local terms energy: -60.747959
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -10.669
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -15.380
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: 3
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -86.086775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.086775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.086775 (E_RNA)
where:
Base-Base interactions energy: -33.733
where: short stacking energy: -24.114
Base-Backbone interact. energy: 0.729
local terms energy: -53.082272
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -14.319
tors. eta vs tors. theta energy: 0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -237.642523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.642523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.642523 (E_RNA)
where:
Base-Base interactions energy: -153.982
where: short stacking energy: -69.213
Base-Backbone interact. energy: -0.305
local terms energy: -83.356080
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -18.662
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.347
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -219.316867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.316867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.316867 (E_RNA)
where:
Base-Base interactions energy: -140.417
where: short stacking energy: -63.933
Base-Backbone interact. energy: -0.000
local terms energy: -78.899538
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -11.626
tors. eta vs tors. theta energy: -21.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -209.033517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.033517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.033517 (E_RNA)
where:
Base-Base interactions energy: -138.095
where: short stacking energy: -59.932
Base-Backbone interact. energy: 0.043
local terms energy: -70.981498
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -13.262
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -17.684
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: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -188.144627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.144627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.144627 (E_RNA)
where:
Base-Base interactions energy: -122.120
where: short stacking energy: -41.040
Base-Backbone interact. energy: -0.328
local terms energy: -65.696081
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -12.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -181.670380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.670380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.670380 (E_RNA)
where:
Base-Base interactions energy: -109.800
where: short stacking energy: -50.423
Base-Backbone interact. energy: 1.873
local terms energy: -73.742578
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -16.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -179.828577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.828577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.828577 (E_RNA)
where:
Base-Base interactions energy: -121.339
where: short stacking energy: -48.137
Base-Backbone interact. energy: -0.021
local terms energy: -58.469192
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.481
flat angles C4'-P-C4' energy: -10.207
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -9.904
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: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -183.343735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.343735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.343735 (E_RNA)
where:
Base-Base interactions energy: -114.383
where: short stacking energy: -52.998
Base-Backbone interact. energy: -0.044
local terms energy: -68.916458
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -12.820
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -17.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -88.557902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.557902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.557902 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -30.678
Base-Backbone interact. energy: -0.520
local terms energy: -49.968672
where:
bonds (distance) C4'-P energy: -12.203
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: 3.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -80.449003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.449003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.449003 (E_RNA)
where:
Base-Base interactions energy: -25.989
where: short stacking energy: -26.789
Base-Backbone interact. energy: -0.096
local terms energy: -54.363926
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -3.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -86.061007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.061007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.061007 (E_RNA)
where:
Base-Base interactions energy: -32.861
where: short stacking energy: -25.193
Base-Backbone interact. energy: -0.249
local terms energy: -52.950249
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -9.812
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -220.665972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.665972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.665972 (E_RNA)
where:
Base-Base interactions energy: -144.687
where: short stacking energy: -83.379
Base-Backbone interact. energy: 0.625
local terms energy: -76.603381
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -21.127
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: 2, replica: 4
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -226.110427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.110427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.110427 (E_RNA)
where:
Base-Base interactions energy: -153.361
where: short stacking energy: -67.973
Base-Backbone interact. energy: -0.228
local terms energy: -72.521433
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -9.838
tors. eta vs tors. theta energy: -17.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -205.257888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.257888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.257888 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -58.018
Base-Backbone interact. energy: -0.074
local terms energy: -74.458314
where:
bonds (distance) C4'-P energy: -14.994
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -17.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -191.988421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.988421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.988421 (E_RNA)
where:
Base-Base interactions energy: -126.780
where: short stacking energy: -66.774
Base-Backbone interact. energy: -0.092
local terms energy: -65.117353
where:
bonds (distance) C4'-P energy: -9.048
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -19.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -185.694546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.694546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.694546 (E_RNA)
where:
Base-Base interactions energy: -117.920
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.102
local terms energy: -67.672126
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -13.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -171.248959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.248959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.248959 (E_RNA)
where:
Base-Base interactions energy: -113.305
where: short stacking energy: -48.832
Base-Backbone interact. energy: -0.490
local terms energy: -57.453388
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -11.148
flat angles P-C4'-P energy: -5.001
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -177.222540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.222540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.222540 (E_RNA)
where:
Base-Base interactions energy: -121.307
where: short stacking energy: -53.942
Base-Backbone interact. energy: -0.125
local terms energy: -55.790480
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -5.153
tors. eta vs tors. theta energy: -13.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -92.537697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.537697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.537697 (E_RNA)
where:
Base-Base interactions energy: -35.087
where: short stacking energy: -32.442
Base-Backbone interact. energy: 0.036
local terms energy: -57.487115
where:
bonds (distance) C4'-P energy: -12.251
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -11.098
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -10.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -83.272708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.272708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.272708 (E_RNA)
where:
Base-Base interactions energy: -33.868
where: short stacking energy: -28.748
Base-Backbone interact. energy: -0.234
local terms energy: -49.170582
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -9.702
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: 1.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -75.406704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.406704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.406704 (E_RNA)
where:
Base-Base interactions energy: -28.768
where: short stacking energy: -26.849
Base-Backbone interact. energy: -0.300
local terms energy: -46.339035
where:
bonds (distance) C4'-P energy: -11.183
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -1.417
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: 4
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -219.274900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.274900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.274900 (E_RNA)
where:
Base-Base interactions energy: -149.147
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.479
local terms energy: -69.648393
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -12.243
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -17.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -229.869559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.869559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.869559 (E_RNA)
where:
Base-Base interactions energy: -149.879
where: short stacking energy: -75.122
Base-Backbone interact. energy: -0.228
local terms energy: -79.761967
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -10.260
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: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -208.055139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.055139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.055139 (E_RNA)
where:
Base-Base interactions energy: -130.901
where: short stacking energy: -60.334
Base-Backbone interact. energy: -0.000
local terms energy: -77.153732
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.786
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: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -195.099129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.099129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.099129 (E_RNA)
where:
Base-Base interactions energy: -119.970
where: short stacking energy: -63.552
Base-Backbone interact. energy: -0.004
local terms energy: -75.125371
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -16.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -180.073983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.073983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.073983 (E_RNA)
where:
Base-Base interactions energy: -116.712
where: short stacking energy: -54.573
Base-Backbone interact. energy: -1.100
local terms energy: -62.261727
where:
bonds (distance) C4'-P energy: -8.743
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -13.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -179.801605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.801605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.801605 (E_RNA)
where:
Base-Base interactions energy: -110.212
where: short stacking energy: -53.011
Base-Backbone interact. energy: -0.012
local terms energy: -69.577953
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -9.812
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: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -85.299863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.299863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.299863 (E_RNA)
where:
Base-Base interactions energy: -31.453
where: short stacking energy: -29.830
Base-Backbone interact. energy: -0.093
local terms energy: -53.753850
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -171.097294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.097294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.097294 (E_RNA)
where:
Base-Base interactions energy: -108.419
where: short stacking energy: -55.386
Base-Backbone interact. energy: 1.261
local terms energy: -63.939913
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -13.143
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -13.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -86.413709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.413709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.413709 (E_RNA)
where:
Base-Base interactions energy: -36.738
where: short stacking energy: -33.654
Base-Backbone interact. energy: -0.227
local terms energy: -49.449132
where:
bonds (distance) C4'-P energy: -9.827
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -11.390
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -3.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -75.863997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.863997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.863997 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -28.394
Base-Backbone interact. energy: -0.272
local terms energy: -43.941357
where:
bonds (distance) C4'-P energy: -10.450
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -222.156249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.156249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.156249 (E_RNA)
where:
Base-Base interactions energy: -143.108
where: short stacking energy: -66.501
Base-Backbone interact. energy: -0.390
local terms energy: -78.658387
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -229.106133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.106133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.106133 (E_RNA)
where:
Base-Base interactions energy: -149.829
where: short stacking energy: -71.101
Base-Backbone interact. energy: -0.003
local terms energy: -79.274151
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -21.285
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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -214.373011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.373011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.373011 (E_RNA)
where:
Base-Base interactions energy: -138.130
where: short stacking energy: -64.796
Base-Backbone interact. energy: -0.591
local terms energy: -75.652929
where:
bonds (distance) C4'-P energy: -16.868
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -10.858
tors. eta vs tors. theta energy: -18.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -195.964224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.964224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.964224 (E_RNA)
where:
Base-Base interactions energy: -132.042
where: short stacking energy: -61.179
Base-Backbone interact. energy: -0.004
local terms energy: -63.918381
where:
bonds (distance) C4'-P energy: -10.275
bonds (distance) P-C4' energy: -15.199
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.762
tors. eta vs tors. theta energy: -14.788
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: 5, replica: 1
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -196.630910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.630910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.630910 (E_RNA)
where:
Base-Base interactions energy: -134.546
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.130
local terms energy: -61.955118
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -14.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -176.831624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.831624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.831624 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -56.565
Base-Backbone interact. energy: -0.015
local terms energy: -62.030105
where:
bonds (distance) C4'-P energy: -11.010
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -12.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -106.875067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.875067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.875067 (E_RNA)
where:
Base-Base interactions energy: -51.372
where: short stacking energy: -38.808
Base-Backbone interact. energy: -0.045
local terms energy: -55.457295
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -170.194640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.194640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.194640 (E_RNA)
where:
Base-Base interactions energy: -109.126
where: short stacking energy: -50.506
Base-Backbone interact. energy: 0.049
local terms energy: -61.117451
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -96.166731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.166731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.166731 (E_RNA)
where:
Base-Base interactions energy: -46.309
where: short stacking energy: -33.615
Base-Backbone interact. energy: -0.118
local terms energy: -49.739712
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -11.458
flat angles P-C4'-P energy: -6.096
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: 10, replica: 3
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -77.572949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.572949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.572949 (E_RNA)
where:
Base-Base interactions energy: -31.136
where: short stacking energy: -31.136
Base-Backbone interact. energy: -0.243
local terms energy: -46.193821
where:
bonds (distance) C4'-P energy: -13.908
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -5.731
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -223.165885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.165885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.165885 (E_RNA)
where:
Base-Base interactions energy: -147.536
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.381
local terms energy: -75.249522
where:
bonds (distance) C4'-P energy: -15.995
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -17.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -222.619674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.619674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.619674 (E_RNA)
where:
Base-Base interactions energy: -146.050
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.001
local terms energy: -76.568942
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.346
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -196.775483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775483 (E_RNA)
where:
Base-Base interactions energy: -127.283
where: short stacking energy: -58.602
Base-Backbone interact. energy: -0.032
local terms energy: -69.459666
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -12.510
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -17.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -226.606486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.606486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.606486 (E_RNA)
where:
Base-Base interactions energy: -148.845
where: short stacking energy: -68.806
Base-Backbone interact. energy: -0.050
local terms energy: -77.711516
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.141
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -18.392
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: 2
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -194.402749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.402749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.402749 (E_RNA)
where:
Base-Base interactions energy: -130.521
where: short stacking energy: -62.769
Base-Backbone interact. energy: 0.221
local terms energy: -64.102988
where:
bonds (distance) C4'-P energy: -10.646
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -178.581538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.581538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.581538 (E_RNA)
where:
Base-Base interactions energy: -114.438
where: short stacking energy: -55.551
Base-Backbone interact. energy: -0.762
local terms energy: -63.381027
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.499
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -9.544
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: 7, replica: 8
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -178.023697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.023697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.023697 (E_RNA)
where:
Base-Base interactions energy: -116.704
where: short stacking energy: -47.129
Base-Backbone interact. energy: -0.308
local terms energy: -61.011183
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -15.393
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -6.007
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -92.169516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.169516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.169516 (E_RNA)
where:
Base-Base interactions energy: -50.534
where: short stacking energy: -41.522
Base-Backbone interact. energy: -0.032
local terms energy: -41.603631
where:
bonds (distance) C4'-P energy: -6.095
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -6.515
flat angles P-C4'-P energy: -7.519
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -90.782369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.782369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.782369 (E_RNA)
where:
Base-Base interactions energy: -40.509
where: short stacking energy: -38.328
Base-Backbone interact. energy: -0.085
local terms energy: -50.189154
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -8.404
tors. eta vs tors. theta energy: -3.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -85.502478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.502478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.502478 (E_RNA)
where:
Base-Base interactions energy: -30.361
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.077
local terms energy: -55.064372
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -8.812
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: 1, replica: 4
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -223.892626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.892626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.892626 (E_RNA)
where:
Base-Base interactions energy: -148.762
where: short stacking energy: -62.307
Base-Backbone interact. energy: -0.280
local terms energy: -74.850139
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.111
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -14.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -204.838419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.838419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.838419 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -63.679
Base-Backbone interact. energy: -0.365
local terms energy: -71.436476
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.524
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -4.306
tors. eta vs tors. theta energy: -18.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -219.097460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.097460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.097460 (E_RNA)
where:
Base-Base interactions energy: -142.863
where: short stacking energy: -76.847
Base-Backbone interact. energy: -0.176
local terms energy: -76.058248
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -14.209
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -215.184427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.184427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.184427 (E_RNA)
where:
Base-Base interactions energy: -144.621
where: short stacking energy: -74.166
Base-Backbone interact. energy: -0.001
local terms energy: -70.562250
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -10.269
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -9.974
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: 5, replica: 2
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -183.762473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.762473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.762473 (E_RNA)
where:
Base-Base interactions energy: -118.534
where: short stacking energy: -55.090
Base-Backbone interact. energy: -0.011
local terms energy: -65.217859
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -8.556
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -190.182309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.182309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.182309 (E_RNA)
where:
Base-Base interactions energy: -123.741
where: short stacking energy: -59.362
Base-Backbone interact. energy: -0.013
local terms energy: -66.428336
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -5.219
tors. eta vs tors. theta energy: -17.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -176.140623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140623 (E_RNA)
where:
Base-Base interactions energy: -116.889
where: short stacking energy: -57.396
Base-Backbone interact. energy: -0.012
local terms energy: -59.239450
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -7.217
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -91.178959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.178959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.178959 (E_RNA)
where:
Base-Base interactions energy: -38.558
where: short stacking energy: -21.405
Base-Backbone interact. energy: 0.167
local terms energy: -52.788195
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -87.131100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.131100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.131100 (E_RNA)
where:
Base-Base interactions energy: -27.355
where: short stacking energy: -23.342
Base-Backbone interact. energy: -0.807
local terms energy: -58.968904
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -3.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -102.291720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.291720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.291720 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -25.149
Base-Backbone interact. energy: -0.864
local terms energy: -52.557846
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -11.067
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -9.407
tors. eta vs tors. theta energy: -6.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -209.268542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.268542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.268542 (E_RNA)
where:
Base-Base interactions energy: -145.113
where: short stacking energy: -70.931
Base-Backbone interact. energy: 1.370
local terms energy: -65.525206
where:
bonds (distance) C4'-P energy: -14.265
bonds (distance) P-C4' energy: -10.009
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -223.098959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.098959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.098959 (E_RNA)
where:
Base-Base interactions energy: -146.778
where: short stacking energy: -57.650
Base-Backbone interact. energy: -0.493
local terms energy: -75.828592
where:
bonds (distance) C4'-P energy: -14.413
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -217.603429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.603429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.603429 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -67.902
Base-Backbone interact. energy: -0.921
local terms energy: -66.490659
where:
bonds (distance) C4'-P energy: -9.052
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -12.118
flat angles P-C4'-P energy: -8.399
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: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -213.290677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.290677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.290677 (E_RNA)
where:
Base-Base interactions energy: -135.947
where: short stacking energy: -70.071
Base-Backbone interact. energy: -0.000
local terms energy: -77.343839
where:
bonds (distance) C4'-P energy: -11.694
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -180.563985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.563985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.563985 (E_RNA)
where:
Base-Base interactions energy: -114.842
where: short stacking energy: -59.414
Base-Backbone interact. energy: 0.787
local terms energy: -66.508839
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -5.621
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -181.294411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.294411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.294411 (E_RNA)
where:
Base-Base interactions energy: -117.839
where: short stacking energy: -48.758
Base-Backbone interact. energy: -0.173
local terms energy: -63.282707
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.535
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -178.360512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.360512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.360512 (E_RNA)
where:
Base-Base interactions energy: -105.197
where: short stacking energy: -55.635
Base-Backbone interact. energy: -0.004
local terms energy: -73.159465
where:
bonds (distance) C4'-P energy: -15.361
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -13.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -85.087148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.087148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.087148 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -24.373
Base-Backbone interact. energy: -1.226
local terms energy: -56.712456
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -12.618
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -7.434
tors. eta vs tors. theta energy: -3.012
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: 132
Temperature: 1.300000
Total energy: -100.049601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.049601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.049601 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -42.549
Base-Backbone interact. energy: -0.049
local terms energy: -57.450813
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -10.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -75.423985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.423985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.423985 (E_RNA)
where:
Base-Base interactions energy: -22.933
where: short stacking energy: -21.450
Base-Backbone interact. energy: -0.051
local terms energy: -52.439531
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -201.109155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.109155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.109155 (E_RNA)
where:
Base-Base interactions energy: -127.454
where: short stacking energy: -63.210
Base-Backbone interact. energy: -0.202
local terms energy: -73.453734
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.564
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -17.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -220.735287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.735287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.735287 (E_RNA)
where:
Base-Base interactions energy: -151.641
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.011
local terms energy: -69.083097
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -5.754
tors. eta vs tors. theta energy: -18.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -213.240750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.240750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.240750 (E_RNA)
where:
Base-Base interactions energy: -142.761
where: short stacking energy: -54.909
Base-Backbone interact. energy: -0.459
local terms energy: -70.020221
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -15.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -211.126832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.126832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.126832 (E_RNA)
where:
Base-Base interactions energy: -137.253
where: short stacking energy: -61.023
Base-Backbone interact. energy: -0.002
local terms energy: -73.872356
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -11.427
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: 5, replica: 8
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -171.552603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.552603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.552603 (E_RNA)
where:
Base-Base interactions energy: -101.006
where: short stacking energy: -50.498
Base-Backbone interact. energy: 1.446
local terms energy: -71.992725
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -13.556
tors. eta vs tors. theta energy: -12.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -172.955746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.955746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.955746 (E_RNA)
where:
Base-Base interactions energy: -103.632
where: short stacking energy: -54.090
Base-Backbone interact. energy: -0.001
local terms energy: -69.322552
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -11.841
tors. eta vs tors. theta energy: -8.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -181.411055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.411055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.411055 (E_RNA)
where:
Base-Base interactions energy: -116.438
where: short stacking energy: -53.418
Base-Backbone interact. energy: -0.103
local terms energy: -64.869964
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -15.644
flat angles C4'-P-C4' energy: -12.578
flat angles P-C4'-P energy: -8.805
tors. eta vs tors. theta energy: -15.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -85.082219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.082219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.082219 (E_RNA)
where:
Base-Base interactions energy: -32.473
where: short stacking energy: -29.161
Base-Backbone interact. energy: -0.134
local terms energy: -52.475052
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -4.960
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: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -84.337633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.337633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.337633 (E_RNA)
where:
Base-Base interactions energy: -39.025
where: short stacking energy: -26.502
Base-Backbone interact. energy: -0.371
local terms energy: -44.941455
where:
bonds (distance) C4'-P energy: -12.956
bonds (distance) P-C4' energy: -11.167
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -5.833
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: 5
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -88.728092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.728092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.728092 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -33.851
Base-Backbone interact. energy: -0.171
local terms energy: -54.169316
where:
bonds (distance) C4'-P energy: -11.929
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -8.038
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -228.218759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.218759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.218759 (E_RNA)
where:
Base-Base interactions energy: -150.583
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.002
local terms energy: -77.633531
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -201.107462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.107462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.107462 (E_RNA)
where:
Base-Base interactions energy: -131.049
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.816
local terms energy: -69.242101
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -222.488700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488700 (E_RNA)
where:
Base-Base interactions energy: -148.217
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.020
local terms energy: -74.251434
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -7.133
tors. eta vs tors. theta energy: -21.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -207.124376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.124376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.124376 (E_RNA)
where:
Base-Base interactions energy: -126.933
where: short stacking energy: -55.374
Base-Backbone interact. energy: -0.990
local terms energy: -79.201722
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -16.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -186.233755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.233755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.233755 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -44.492
Base-Backbone interact. energy: -0.611
local terms energy: -67.805924
where:
bonds (distance) C4'-P energy: -13.305
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -13.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -188.923461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.923461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.923461 (E_RNA)
where:
Base-Base interactions energy: -123.906
where: short stacking energy: -47.726
Base-Backbone interact. energy: -1.587
local terms energy: -63.430229
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -13.633
flat angles P-C4'-P energy: -5.426
tors. eta vs tors. theta energy: -13.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -174.068320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.068320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.068320 (E_RNA)
where:
Base-Base interactions energy: -105.776
where: short stacking energy: -42.878
Base-Backbone interact. energy: -0.082
local terms energy: -68.209874
where:
bonds (distance) C4'-P energy: -15.336
bonds (distance) P-C4' energy: -16.723
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -10.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -87.821768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.821768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.821768 (E_RNA)
where:
Base-Base interactions energy: -30.366
where: short stacking energy: -30.366
Base-Backbone interact. energy: 0.216
local terms energy: -57.671644
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -12.876
flat angles P-C4'-P energy: -9.270
tors. eta vs tors. theta energy: -4.527
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: 5
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -80.006853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.006853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.006853 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -32.399
Base-Backbone interact. energy: 1.144
local terms energy: -48.751854
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -11.603
flat angles P-C4'-P energy: -8.915
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: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -81.086901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.086901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.086901 (E_RNA)
where:
Base-Base interactions energy: -36.983
where: short stacking energy: -20.301
Base-Backbone interact. energy: -0.548
local terms energy: -43.555468
where:
bonds (distance) C4'-P energy: -8.974
bonds (distance) P-C4' energy: -9.789
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.976
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: 1, replica: 7
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -231.354045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.354045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.354045 (E_RNA)
where:
Base-Base interactions energy: -155.285
where: short stacking energy: -76.050
Base-Backbone interact. energy: -0.156
local terms energy: -75.912611
where:
bonds (distance) C4'-P energy: -12.646
bonds (distance) P-C4' energy: -13.675
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -14.110
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: 10
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -227.813487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.813487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.813487 (E_RNA)
where:
Base-Base interactions energy: -155.447
where: short stacking energy: -77.508
Base-Backbone interact. energy: -0.004
local terms energy: -72.362368
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -12.307
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -8.530
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: 3, replica: 6
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -190.815718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.815718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.815718 (E_RNA)
where:
Base-Base interactions energy: -118.737
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.075
local terms energy: -72.003156
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -15.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -206.334842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.334842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.334842 (E_RNA)
where:
Base-Base interactions energy: -131.615
where: short stacking energy: -59.179
Base-Backbone interact. energy: 0.637
local terms energy: -75.357024
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -17.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -189.646448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.646448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.646448 (E_RNA)
where:
Base-Base interactions energy: -125.846
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.000
local terms energy: -63.800691
where:
bonds (distance) C4'-P energy: -10.978
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -6.699
tors. eta vs tors. theta energy: -17.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -178.324509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.324509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.324509 (E_RNA)
where:
Base-Base interactions energy: -113.089
where: short stacking energy: -44.367
Base-Backbone interact. energy: -0.286
local terms energy: -64.949602
where:
bonds (distance) C4'-P energy: -14.053
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -11.153
tors. eta vs tors. theta energy: -11.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -167.850945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.850945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.850945 (E_RNA)
where:
Base-Base interactions energy: -106.737
where: short stacking energy: -43.134
Base-Backbone interact. energy: 1.802
local terms energy: -62.916102
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -9.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -100.567264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.567264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.567264 (E_RNA)
where:
Base-Base interactions energy: -50.527
where: short stacking energy: -30.410
Base-Backbone interact. energy: -0.181
local terms energy: -49.859243
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -8.059
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -4.312
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -84.809562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.809562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.809562 (E_RNA)
where:
Base-Base interactions energy: -34.328
where: short stacking energy: -34.328
Base-Backbone interact. energy: -0.011
local terms energy: -50.470747
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -84.606401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.606401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.606401 (E_RNA)
where:
Base-Base interactions energy: -44.476
where: short stacking energy: -32.310
Base-Backbone interact. energy: -0.355
local terms energy: -39.775774
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -6.689
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: 0.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -228.018542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.018542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.018542 (E_RNA)
where:
Base-Base interactions energy: -153.267
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.000
local terms energy: -74.751539
where:
bonds (distance) C4'-P energy: -13.623
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -18.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -223.972758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.972758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.972758 (E_RNA)
where:
Base-Base interactions energy: -148.761
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.697
local terms energy: -74.514998
where:
bonds (distance) C4'-P energy: -17.746
bonds (distance) P-C4' energy: -12.585
flat angles C4'-P-C4' energy: -10.944
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -212.120583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.120583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.120583 (E_RNA)
where:
Base-Base interactions energy: -137.860
where: short stacking energy: -64.220
Base-Backbone interact. energy: -0.419
local terms energy: -73.842106
where:
bonds (distance) C4'-P energy: -9.740
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -18.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -191.416422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.416422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.416422 (E_RNA)
where:
Base-Base interactions energy: -125.762
where: short stacking energy: -59.837
Base-Backbone interact. energy: -0.012
local terms energy: -65.642416
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -12.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -184.957586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.957586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.957586 (E_RNA)
where:
Base-Base interactions energy: -120.541
where: short stacking energy: -57.438
Base-Backbone interact. energy: -0.005
local terms energy: -64.411534
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -14.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -176.194702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.194702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.194702 (E_RNA)
where:
Base-Base interactions energy: -108.463
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.024
local terms energy: -67.707398
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -9.234
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: 7, replica: 1
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -163.876564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.876564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.876564 (E_RNA)
where:
Base-Base interactions energy: -114.750
where: short stacking energy: -43.932
Base-Backbone interact. energy: 0.499
local terms energy: -49.625874
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -10.248
flat angles C4'-P-C4' energy: -9.541
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -91.650011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650011 (E_RNA)
where:
Base-Base interactions energy: -36.651
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.003
local terms energy: -54.996366
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -11.292
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: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -72.961996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.961996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.961996 (E_RNA)
where:
Base-Base interactions energy: -20.752
where: short stacking energy: -18.270
Base-Backbone interact. energy: -0.092
local terms energy: -52.118482
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -1.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -84.032632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.032632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.032632 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -28.782
Base-Backbone interact. energy: -0.102
local terms energy: -55.148500
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -7.169
tors. eta vs tors. theta energy: -6.087
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: 7
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -230.575369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.575369 (E_RNA)
where:
Base-Base interactions energy: -151.486
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.312
local terms energy: -78.777268
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -20.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -213.078353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.078353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.078353 (E_RNA)
where:
Base-Base interactions energy: -143.998
where: short stacking energy: -68.404
Base-Backbone interact. energy: -0.154
local terms energy: -68.927254
where:
bonds (distance) C4'-P energy: -12.098
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -9.613
tors. eta vs tors. theta energy: -14.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -225.130726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.130726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.130726 (E_RNA)
where:
Base-Base interactions energy: -145.694
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.002
local terms energy: -79.434597
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -14.858
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -9.868
tors. eta vs tors. theta energy: -24.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -203.917869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.917869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.917869 (E_RNA)
where:
Base-Base interactions energy: -138.724
where: short stacking energy: -56.298
Base-Backbone interact. energy: -0.212
local terms energy: -64.981827
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -12.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -181.896700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.896700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.896700 (E_RNA)
where:
Base-Base interactions energy: -124.504
where: short stacking energy: -61.707
Base-Backbone interact. energy: -0.090
local terms energy: -57.302817
where:
bonds (distance) C4'-P energy: -8.439
bonds (distance) P-C4' energy: -12.998
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -14.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -182.736618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.736618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.736618 (E_RNA)
where:
Base-Base interactions energy: -118.939
where: short stacking energy: -56.330
Base-Backbone interact. energy: -0.201
local terms energy: -63.596578
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -12.622
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -11.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -183.196111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.196111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.196111 (E_RNA)
where:
Base-Base interactions energy: -116.751
where: short stacking energy: -59.745
Base-Backbone interact. energy: -0.014
local terms energy: -66.431085
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -16.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -92.732511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.732511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.732511 (E_RNA)
where:
Base-Base interactions energy: -41.598
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.202
local terms energy: -50.932293
where:
bonds (distance) C4'-P energy: -9.313
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -6.412
tors. eta vs tors. theta energy: -10.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -86.963881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.963881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.963881 (E_RNA)
where:
Base-Base interactions energy: -35.407
where: short stacking energy: -28.693
Base-Backbone interact. energy: 0.715
local terms energy: -52.271547
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -2.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -73.789187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.789187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.789187 (E_RNA)
where:
Base-Base interactions energy: -25.080
where: short stacking energy: -22.269
Base-Backbone interact. energy: -0.085
local terms energy: -48.624408
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -10.383
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 1.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -224.495958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.495958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.495958 (E_RNA)
where:
Base-Base interactions energy: -153.137
where: short stacking energy: -62.819
Base-Backbone interact. energy: 2.198
local terms energy: -73.556805
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -15.343
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -17.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -215.571969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.571969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.571969 (E_RNA)
where:
Base-Base interactions energy: -145.757
where: short stacking energy: -67.752
Base-Backbone interact. energy: 1.253
local terms energy: -71.067133
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -12.817
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -16.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -225.002185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.002185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.002185 (E_RNA)
where:
Base-Base interactions energy: -145.821
where: short stacking energy: -72.676
Base-Backbone interact. energy: -0.180
local terms energy: -79.000363
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -20.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -193.294549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.294549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.294549 (E_RNA)
where:
Base-Base interactions energy: -129.185
where: short stacking energy: -47.102
Base-Backbone interact. energy: 0.126
local terms energy: -64.235172
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -8.418
tors. eta vs tors. theta energy: -10.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -189.552116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552116 (E_RNA)
where:
Base-Base interactions energy: -121.593
where: short stacking energy: -61.560
Base-Backbone interact. energy: -0.104
local terms energy: -67.855186
where:
bonds (distance) C4'-P energy: -13.961
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -19.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -176.688194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.688194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.688194 (E_RNA)
where:
Base-Base interactions energy: -117.626
where: short stacking energy: -61.661
Base-Backbone interact. energy: -0.707
local terms energy: -58.354752
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -8.987
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -14.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -157.787945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.787945 (E_RNA)
where:
Base-Base interactions energy: -104.656
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.141
local terms energy: -52.990816
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.122
flat angles P-C4'-P energy: -4.797
tors. eta vs tors. theta energy: -7.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -98.788299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.788299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.788299 (E_RNA)
where:
Base-Base interactions energy: -35.132
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.080
local terms energy: -63.576351
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -11.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -90.900510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.900510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.900510 (E_RNA)
where:
Base-Base interactions energy: -32.508
where: short stacking energy: -31.179
Base-Backbone interact. energy: -0.244
local terms energy: -58.148521
where:
bonds (distance) C4'-P energy: -10.559
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -13.900
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -6.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -85.869150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.869150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.869150 (E_RNA)
where:
Base-Base interactions energy: -43.774
where: short stacking energy: -29.334
Base-Backbone interact. energy: -0.015
local terms energy: -42.080247
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -11.597
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -8.328
tors. eta vs tors. theta energy: -0.282
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: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -223.817759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.817759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.817759 (E_RNA)
where:
Base-Base interactions energy: -149.365
where: short stacking energy: -61.182
Base-Backbone interact. energy: -0.541
local terms energy: -73.911485
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -14.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -226.006489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.006489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.006489 (E_RNA)
where:
Base-Base interactions energy: -152.435
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.007
local terms energy: -73.564888
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -220.712669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.712669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.712669 (E_RNA)
where:
Base-Base interactions energy: -147.887
where: short stacking energy: -71.047
Base-Backbone interact. energy: -0.338
local terms energy: -72.487846
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -22.435
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: 1
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -193.299156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.299156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.299156 (E_RNA)
where:
Base-Base interactions energy: -122.078
where: short stacking energy: -62.195
Base-Backbone interact. energy: 0.064
local terms energy: -71.285211
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -17.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -180.647923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.647923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.647923 (E_RNA)
where:
Base-Base interactions energy: -116.268
where: short stacking energy: -54.457
Base-Backbone interact. energy: -0.068
local terms energy: -64.312243
where:
bonds (distance) C4'-P energy: -17.969
bonds (distance) P-C4' energy: -12.848
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -11.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -117.109584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.109584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.109584 (E_RNA)
where:
Base-Base interactions energy: -72.402
where: short stacking energy: -36.311
Base-Backbone interact. energy: -0.119
local terms energy: -44.589189
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -12.779
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: -1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -191.309858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.309858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.309858 (E_RNA)
where:
Base-Base interactions energy: -126.806
where: short stacking energy: -57.378
Base-Backbone interact. energy: -0.003
local terms energy: -64.501019
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.287
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -5.105
tors. eta vs tors. theta energy: -20.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -92.358741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.358741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.358741 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -35.333
Base-Backbone interact. energy: -0.098
local terms energy: -56.764940
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.294
flat angles P-C4'-P energy: -7.398
tors. eta vs tors. theta energy: -5.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -78.513830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.513830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.513830 (E_RNA)
where:
Base-Base interactions energy: -23.334
where: short stacking energy: -18.624
Base-Backbone interact. energy: -0.711
local terms energy: -54.469323
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -10.438
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -4.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -77.070695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.070695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.070695 (E_RNA)
where:
Base-Base interactions energy: -33.104
where: short stacking energy: -33.104
Base-Backbone interact. energy: 0.060
local terms energy: -44.027264
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -6.726
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -229.365932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.365932 (E_RNA)
where:
Base-Base interactions energy: -147.253
where: short stacking energy: -78.712
Base-Backbone interact. energy: -0.008
local terms energy: -82.104268
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -21.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -215.939065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.939065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.939065 (E_RNA)
where:
Base-Base interactions energy: -143.758
where: short stacking energy: -61.055
Base-Backbone interact. energy: -0.070
local terms energy: -72.111108
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.410
tors. eta vs tors. theta energy: -16.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -222.541801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.541801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.541801 (E_RNA)
where:
Base-Base interactions energy: -142.321
where: short stacking energy: -72.986
Base-Backbone interact. energy: -0.455
local terms energy: -79.766292
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -188.142927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.142927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.142927 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -58.897
Base-Backbone interact. energy: -0.104
local terms energy: -63.767861
where:
bonds (distance) C4'-P energy: -8.770
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -17.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -184.379014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.379014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.379014 (E_RNA)
where:
Base-Base interactions energy: -132.995
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.694
local terms energy: -50.689852
where:
bonds (distance) C4'-P energy: -10.595
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -8.820
flat angles P-C4'-P energy: -4.167
tors. eta vs tors. theta energy: -10.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -148.055887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.055887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.055887 (E_RNA)
where:
Base-Base interactions energy: -86.207
where: short stacking energy: -46.114
Base-Backbone interact. energy: 0.378
local terms energy: -62.226159
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -9.400
tors. eta vs tors. theta energy: -7.080
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: 6
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -176.183790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.183790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.183790 (E_RNA)
where:
Base-Base interactions energy: -106.520
where: short stacking energy: -52.701
Base-Backbone interact. energy: -0.371
local terms energy: -69.292264
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -17.500
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: 3
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -91.338989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.338989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.338989 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -28.185
Base-Backbone interact. energy: 0.047
local terms energy: -54.839965
where:
bonds (distance) C4'-P energy: -13.689
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -86.489800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.489800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.489800 (E_RNA)
where:
Base-Base interactions energy: -42.977
where: short stacking energy: -25.020
Base-Backbone interact. energy: -0.123
local terms energy: -43.389479
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -11.460
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -9.032
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: 5
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -71.486994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.486994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.486994 (E_RNA)
where:
Base-Base interactions energy: -20.943
where: short stacking energy: -19.499
Base-Backbone interact. energy: -0.062
local terms energy: -50.481654
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -0.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -237.488535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.488535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.488535 (E_RNA)
where:
Base-Base interactions energy: -152.967
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.041
local terms energy: -84.480864
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.331
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: 2, replica: 7
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -232.584439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.584439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.584439 (E_RNA)
where:
Base-Base interactions energy: -147.980
where: short stacking energy: -73.558
Base-Backbone interact. energy: -0.000
local terms energy: -84.603818
where:
bonds (distance) C4'-P energy: -17.203
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -212.072683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.072683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.072683 (E_RNA)
where:
Base-Base interactions energy: -143.332
where: short stacking energy: -67.541
Base-Backbone interact. energy: -0.405
local terms energy: -68.336033
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -7.743
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: 4, replica: 8
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -186.786238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.786238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.786238 (E_RNA)
where:
Base-Base interactions energy: -124.025
where: short stacking energy: -45.778
Base-Backbone interact. energy: -0.885
local terms energy: -61.875854
where:
bonds (distance) C4'-P energy: -11.503
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -6.480
tors. eta vs tors. theta energy: -11.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -206.218566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.218566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.218566 (E_RNA)
where:
Base-Base interactions energy: -144.069
where: short stacking energy: -54.885
Base-Backbone interact. energy: -0.145
local terms energy: -62.004273
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -13.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -183.309307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.309307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.309307 (E_RNA)
where:
Base-Base interactions energy: -118.357
where: short stacking energy: -56.040
Base-Backbone interact. energy: -0.249
local terms energy: -64.702976
where:
bonds (distance) C4'-P energy: -9.242
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -8.794
tors. eta vs tors. theta energy: -16.057
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: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -143.092876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.092876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.092876 (E_RNA)
where:
Base-Base interactions energy: -76.308
where: short stacking energy: -39.963
Base-Backbone interact. energy: -0.199
local terms energy: -66.585521
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.253
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -110.091419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.091419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.091419 (E_RNA)
where:
Base-Base interactions energy: -55.682
where: short stacking energy: -26.242
Base-Backbone interact. energy: -0.155
local terms energy: -54.253824
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -14.496
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -98.046939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.046939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.046939 (E_RNA)
where:
Base-Base interactions energy: -49.570
where: short stacking energy: -23.775
Base-Backbone interact. energy: -0.549
local terms energy: -47.928408
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -12.564
flat angles P-C4'-P energy: -5.640
tors. eta vs tors. theta energy: -2.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -82.529837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.529837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.529837 (E_RNA)
where:
Base-Base interactions energy: -31.333
where: short stacking energy: -31.061
Base-Backbone interact. energy: 0.133
local terms energy: -51.330310
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -229.862054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.862054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.862054 (E_RNA)
where:
Base-Base interactions energy: -147.724
where: short stacking energy: -64.814
Base-Backbone interact. energy: -0.001
local terms energy: -82.137064
where:
bonds (distance) C4'-P energy: -16.090
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -229.412599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.412599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.412599 (E_RNA)
where:
Base-Base interactions energy: -150.925
where: short stacking energy: -75.965
Base-Backbone interact. energy: -0.000
local terms energy: -78.487660
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -21.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -209.633724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.633724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.633724 (E_RNA)
where:
Base-Base interactions energy: -134.985
where: short stacking energy: -56.635
Base-Backbone interact. energy: -0.044
local terms energy: -74.604447
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -12.376
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: 4, replica: 8
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -190.189352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189352 (E_RNA)
where:
Base-Base interactions energy: -119.855
where: short stacking energy: -54.250
Base-Backbone interact. energy: -0.392
local terms energy: -69.942178
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -13.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -205.158785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.158785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.158785 (E_RNA)
where:
Base-Base interactions energy: -136.745
where: short stacking energy: -53.399
Base-Backbone interact. energy: -0.962
local terms energy: -67.451291
where:
bonds (distance) C4'-P energy: -12.364
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -13.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -181.282133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.282133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.282133 (E_RNA)
where:
Base-Base interactions energy: -119.928
where: short stacking energy: -54.981
Base-Backbone interact. energy: -0.075
local terms energy: -61.279510
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -126.328639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.328639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.328639 (E_RNA)
where:
Base-Base interactions energy: -69.386
where: short stacking energy: -41.648
Base-Backbone interact. energy: -0.089
local terms energy: -56.854284
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -5.824
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: 8, replica: 2
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -124.533236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.533236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.533236 (E_RNA)
where:
Base-Base interactions energy: -63.241
where: short stacking energy: -35.067
Base-Backbone interact. energy: 0.068
local terms energy: -61.360405
where:
bonds (distance) C4'-P energy: -12.940
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -73.492455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.492455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.492455 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -31.651
Base-Backbone interact. energy: 1.910
local terms energy: -43.751764
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -9.915
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -7.165
tors. eta vs tors. theta energy: -1.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -71.617702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.617702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.617702 (E_RNA)
where:
Base-Base interactions energy: -28.351
where: short stacking energy: -24.081
Base-Backbone interact. energy: -0.256
local terms energy: -43.010679
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -2.409
tors. eta vs tors. theta energy: -1.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -230.196602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.196602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.196602 (E_RNA)
where:
Base-Base interactions energy: -153.792
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.046
local terms energy: -76.358744
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -210.648245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.648245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.648245 (E_RNA)
where:
Base-Base interactions energy: -135.415
where: short stacking energy: -64.319
Base-Backbone interact. energy: 1.123
local terms energy: -76.356165
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -17.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -223.075580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.075580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.075580 (E_RNA)
where:
Base-Base interactions energy: -152.367
where: short stacking energy: -78.897
Base-Backbone interact. energy: -0.002
local terms energy: -70.706367
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.751
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: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -191.493259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.493259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.493259 (E_RNA)
where:
Base-Base interactions energy: -128.898
where: short stacking energy: -50.966
Base-Backbone interact. energy: -0.008
local terms energy: -62.587294
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.445
tors. eta vs tors. theta energy: -14.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -185.786285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.786285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.786285 (E_RNA)
where:
Base-Base interactions energy: -126.402
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.043
local terms energy: -59.340783
where:
bonds (distance) C4'-P energy: -10.072
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -12.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -92.851413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851413 (E_RNA)
where:
Base-Base interactions energy: -46.649
where: short stacking energy: -28.728
Base-Backbone interact. energy: -0.042
local terms energy: -46.160586
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -6.609
tors. eta vs tors. theta energy: -0.957
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: 7, replica: 6
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -173.766129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.766129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.766129 (E_RNA)
where:
Base-Base interactions energy: -114.304
where: short stacking energy: -56.691
Base-Backbone interact. energy: -0.700
local terms energy: -58.761459
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -8.457
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: 8, replica: 2
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -93.645706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.645706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.645706 (E_RNA)
where:
Base-Base interactions energy: -42.386
where: short stacking energy: -33.349
Base-Backbone interact. energy: -0.004
local terms energy: -51.255143
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: 2.959
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -86.492082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.492082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.492082 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -27.024
Base-Backbone interact. energy: -0.168
local terms energy: -54.134385
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -10.595
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -2.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -85.239452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.239452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.239452 (E_RNA)
where:
Base-Base interactions energy: -34.616
where: short stacking energy: -33.757
Base-Backbone interact. energy: -0.016
local terms energy: -50.607190
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -8.765
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -3.286
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: 4
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -220.358456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.358456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.358456 (E_RNA)
where:
Base-Base interactions energy: -142.774
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.479
local terms energy: -77.106176
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -13.417
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -230.388946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.388946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.388946 (E_RNA)
where:
Base-Base interactions energy: -151.307
where: short stacking energy: -72.266
Base-Backbone interact. energy: -0.065
local terms energy: -79.017277
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -9.550
tors. eta vs tors. theta energy: -19.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -220.297001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.297001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.297001 (E_RNA)
where:
Base-Base interactions energy: -142.129
where: short stacking energy: -67.471
Base-Backbone interact. energy: -0.593
local terms energy: -77.575483
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -9.489
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: 1
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -188.144667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.144667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.144667 (E_RNA)
where:
Base-Base interactions energy: -119.810
where: short stacking energy: -59.318
Base-Backbone interact. energy: -0.270
local terms energy: -68.065269
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -5.183
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -184.208815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.208815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.208815 (E_RNA)
where:
Base-Base interactions energy: -123.620
where: short stacking energy: -50.959
Base-Backbone interact. energy: -0.090
local terms energy: -60.498335
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -9.955
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -98.774756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.774756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.774756 (E_RNA)
where:
Base-Base interactions energy: -54.752
where: short stacking energy: -27.327
Base-Backbone interact. energy: -0.576
local terms energy: -43.446669
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -0.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -180.565107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.565107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.565107 (E_RNA)
where:
Base-Base interactions energy: -114.237
where: short stacking energy: -52.090
Base-Backbone interact. energy: -0.268
local terms energy: -66.059682
where:
bonds (distance) C4'-P energy: -14.097
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.298
tors. eta vs tors. theta energy: -12.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -92.753336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.753336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.753336 (E_RNA)
where:
Base-Base interactions energy: -37.489
where: short stacking energy: -37.489
Base-Backbone interact. energy: -0.497
local terms energy: -54.766941
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: -1.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -83.691919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.691919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.691919 (E_RNA)
where:
Base-Base interactions energy: -31.929
where: short stacking energy: -30.790
Base-Backbone interact. energy: -0.397
local terms energy: -51.365600
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -8.249
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: 5
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -85.683250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.683250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.683250 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -27.384
Base-Backbone interact. energy: -0.051
local terms energy: -56.992656
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -13.037
flat angles P-C4'-P energy: -5.089
tors. eta vs tors. theta energy: -8.679
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: 4
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -216.728689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.728689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.728689 (E_RNA)
where:
Base-Base interactions energy: -147.473
where: short stacking energy: -63.814
Base-Backbone interact. energy: -0.140
local terms energy: -69.115833
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.666
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -13.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -227.932073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.932073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.932073 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.011
local terms energy: -78.684653
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -11.625
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: 3, replica: 7
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -218.523144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.523144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.523144 (E_RNA)
where:
Base-Base interactions energy: -149.583
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.027
local terms energy: -68.912651
where:
bonds (distance) C4'-P energy: -9.537
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -16.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -192.001389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.001389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.001389 (E_RNA)
where:
Base-Base interactions energy: -123.204
where: short stacking energy: -70.590
Base-Backbone interact. energy: 0.217
local terms energy: -69.014409
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -12.447
flat angles C4'-P-C4' energy: -11.834
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -18.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -186.155585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.155585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.155585 (E_RNA)
where:
Base-Base interactions energy: -115.011
where: short stacking energy: -51.791
Base-Backbone interact. energy: -0.697
local terms energy: -70.447648
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -13.709
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -18.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -178.642708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.642708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.642708 (E_RNA)
where:
Base-Base interactions energy: -114.790
where: short stacking energy: -55.326
Base-Backbone interact. energy: 0.198
local terms energy: -64.050886
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -7.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -107.622413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.622413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.622413 (E_RNA)
where:
Base-Base interactions energy: -57.168
where: short stacking energy: -28.336
Base-Backbone interact. energy: -0.368
local terms energy: -50.086481
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -10.032
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -84.156320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.156320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.156320 (E_RNA)
where:
Base-Base interactions energy: -32.225
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.041
local terms energy: -51.890213
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -7.365
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -7.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -75.980745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.980745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.980745 (E_RNA)
where:
Base-Base interactions energy: -30.044
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.824
local terms energy: -45.112330
where:
bonds (distance) C4'-P energy: -12.335
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -5.850
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: 10, replica: 5
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -84.976973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976973 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -42.273
Base-Backbone interact. energy: 0.359
local terms energy: -43.062737
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -5.931
tors. eta vs tors. theta energy: -3.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -223.513792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.513792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.513792 (E_RNA)
where:
Base-Base interactions energy: -153.444
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.027
local terms energy: -70.042848
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -9.050
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -8.159
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: 146
Temperature: 0.950000
Total energy: -217.936589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.936589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.936589 (E_RNA)
where:
Base-Base interactions energy: -140.137
where: short stacking energy: -64.517
Base-Backbone interact. energy: -1.038
local terms energy: -76.761709
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -13.930
flat angles C4'-P-C4' energy: -16.272
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -18.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -192.567021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.567021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.567021 (E_RNA)
where:
Base-Base interactions energy: -127.370
where: short stacking energy: -57.725
Base-Backbone interact. energy: 0.060
local terms energy: -65.257215
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.065
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: 7
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -216.639750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.639750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.639750 (E_RNA)
where:
Base-Base interactions energy: -140.108
where: short stacking energy: -65.993
Base-Backbone interact. energy: -0.488
local terms energy: -76.044353
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -17.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -190.534330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.534330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.534330 (E_RNA)
where:
Base-Base interactions energy: -124.614
where: short stacking energy: -63.946
Base-Backbone interact. energy: -0.001
local terms energy: -65.919302
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -17.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -185.441270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.441270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.441270 (E_RNA)
where:
Base-Base interactions energy: -113.849
where: short stacking energy: -61.786
Base-Backbone interact. energy: 0.019
local terms energy: -71.611560
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -96.659498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.659498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.659498 (E_RNA)
where:
Base-Base interactions energy: -44.034
where: short stacking energy: -31.709
Base-Backbone interact. energy: -0.746
local terms energy: -51.878795
where:
bonds (distance) C4'-P energy: -6.994
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -5.405
tors. eta vs tors. theta energy: -9.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -97.930347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.930347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.930347 (E_RNA)
where:
Base-Base interactions energy: -49.889
where: short stacking energy: -34.403
Base-Backbone interact. energy: -0.204
local terms energy: -47.837593
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -9.100
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: 5
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -78.577542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.577542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.577542 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.393
local terms energy: -50.985423
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -8.002
tors. eta vs tors. theta energy: -1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -80.175095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.175095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.175095 (E_RNA)
where:
Base-Base interactions energy: -30.941
where: short stacking energy: -25.169
Base-Backbone interact. energy: -0.004
local terms energy: -49.230518
where:
bonds (distance) C4'-P energy: -9.785
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -4.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -230.918165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.918165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.918165 (E_RNA)
where:
Base-Base interactions energy: -153.766
where: short stacking energy: -79.623
Base-Backbone interact. energy: -0.039
local terms energy: -77.112820
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -20.041
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: 8
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -211.095286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.095286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.095286 (E_RNA)
where:
Base-Base interactions energy: -146.783
where: short stacking energy: -49.619
Base-Backbone interact. energy: -0.218
local terms energy: -64.094001
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.407
tors. eta vs tors. theta energy: -10.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -204.173829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.173829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.173829 (E_RNA)
where:
Base-Base interactions energy: -134.487
where: short stacking energy: -57.723
Base-Backbone interact. energy: -0.392
local terms energy: -69.294396
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -15.822
flat angles P-C4'-P energy: -13.019
tors. eta vs tors. theta energy: -14.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -211.047619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.047619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.047619 (E_RNA)
where:
Base-Base interactions energy: -139.404
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.841
local terms energy: -70.802615
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -8.016
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -184.857308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.857308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.857308 (E_RNA)
where:
Base-Base interactions energy: -121.899
where: short stacking energy: -58.486
Base-Backbone interact. energy: 1.427
local terms energy: -64.385429
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -186.154011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.154011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.154011 (E_RNA)
where:
Base-Base interactions energy: -117.062
where: short stacking energy: -55.445
Base-Backbone interact. energy: -0.051
local terms energy: -69.041005
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -15.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -144.050535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.050535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.050535 (E_RNA)
where:
Base-Base interactions energy: -84.861
where: short stacking energy: -53.170
Base-Backbone interact. energy: -0.131
local terms energy: -59.058367
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -8.034
tors. eta vs tors. theta energy: -10.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -92.813277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.813277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.813277 (E_RNA)
where:
Base-Base interactions energy: -41.276
where: short stacking energy: -36.105
Base-Backbone interact. energy: -0.271
local terms energy: -51.265722
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -6.729
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -8.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -92.453138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.453138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.453138 (E_RNA)
where:
Base-Base interactions energy: -36.825
where: short stacking energy: -18.840
Base-Backbone interact. energy: -0.165
local terms energy: -55.462758
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -0.587
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: 10, replica: 2
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -88.160556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.160556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.160556 (E_RNA)
where:
Base-Base interactions energy: -32.365
where: short stacking energy: -32.365
Base-Backbone interact. energy: -0.101
local terms energy: -55.694980
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -6.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -239.366217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.366217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.366217 (E_RNA)
where:
Base-Base interactions energy: -156.954
where: short stacking energy: -77.337
Base-Backbone interact. energy: -0.159
local terms energy: -82.253902
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -20.206
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: 8
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -207.238911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.238911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.238911 (E_RNA)
where:
Base-Base interactions energy: -139.298
where: short stacking energy: -56.512
Base-Backbone interact. energy: -0.013
local terms energy: -67.927852
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.844
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -13.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -213.936758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.936758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.936758 (E_RNA)
where:
Base-Base interactions energy: -146.532
where: short stacking energy: -61.642
Base-Backbone interact. energy: -0.374
local terms energy: -67.030113
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -14.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -215.187077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.187077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.187077 (E_RNA)
where:
Base-Base interactions energy: -143.657
where: short stacking energy: -72.534
Base-Backbone interact. energy: -0.000
local terms energy: -71.529383
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -15.069
flat angles P-C4'-P energy: -7.781
tors. eta vs tors. theta energy: -19.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -176.158811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.158811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.158811 (E_RNA)
where:
Base-Base interactions energy: -113.621
where: short stacking energy: -54.360
Base-Backbone interact. energy: 0.212
local terms energy: -62.749889
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -15.701
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.815
tors. eta vs tors. theta energy: -9.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -176.277203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.277203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.277203 (E_RNA)
where:
Base-Base interactions energy: -114.776
where: short stacking energy: -51.197
Base-Backbone interact. energy: -0.178
local terms energy: -61.322930
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -11.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -145.778213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.778213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.778213 (E_RNA)
where:
Base-Base interactions energy: -85.568
where: short stacking energy: -49.900
Base-Backbone interact. energy: 0.537
local terms energy: -60.747249
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -8.975
tors. eta vs tors. theta energy: -12.040
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: 5
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -88.780435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.780435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.780435 (E_RNA)
where:
Base-Base interactions energy: -35.602
where: short stacking energy: -32.850
Base-Backbone interact. energy: -0.151
local terms energy: -53.027193
where:
bonds (distance) C4'-P energy: -10.005
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -87.615594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.615594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.615594 (E_RNA)
where:
Base-Base interactions energy: -30.255
where: short stacking energy: -27.745
Base-Backbone interact. energy: -0.113
local terms energy: -57.247169
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -8.688
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -86.123296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.123296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.123296 (E_RNA)
where:
Base-Base interactions energy: -40.112
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.070
local terms energy: -45.941307
where:
bonds (distance) C4'-P energy: -9.457
bonds (distance) P-C4' energy: -7.829
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -232.329603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.329603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.329603 (E_RNA)
where:
Base-Base interactions energy: -156.157
where: short stacking energy: -77.587
Base-Backbone interact. energy: -0.289
local terms energy: -75.883474
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -12.378
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -21.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -213.775671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775671 (E_RNA)
where:
Base-Base interactions energy: -146.138
where: short stacking energy: -59.409
Base-Backbone interact. energy: -0.233
local terms energy: -67.405064
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -207.982642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.982642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.982642 (E_RNA)
where:
Base-Base interactions energy: -140.305
where: short stacking energy: -55.072
Base-Backbone interact. energy: -0.165
local terms energy: -67.512940
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -11.462
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: 4, replica: 7
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -217.597155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.597155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.597155 (E_RNA)
where:
Base-Base interactions energy: -143.376
where: short stacking energy: -69.400
Base-Backbone interact. energy: -0.363
local terms energy: -73.857903
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -9.415
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: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -188.128830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.128830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.128830 (E_RNA)
where:
Base-Base interactions energy: -124.827
where: short stacking energy: -53.285
Base-Backbone interact. energy: -0.182
local terms energy: -63.120091
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -7.316
tors. eta vs tors. theta energy: -10.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -156.817286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.817286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.817286 (E_RNA)
where:
Base-Base interactions energy: -95.760
where: short stacking energy: -46.402
Base-Backbone interact. energy: -0.177
local terms energy: -60.880665
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -10.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -162.620241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.620241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.620241 (E_RNA)
where:
Base-Base interactions energy: -98.764
where: short stacking energy: -48.721
Base-Backbone interact. energy: -0.203
local terms energy: -63.653196
where:
bonds (distance) C4'-P energy: -15.155
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -97.126785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.126785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.126785 (E_RNA)
where:
Base-Base interactions energy: -45.519
where: short stacking energy: -40.105
Base-Backbone interact. energy: 0.953
local terms energy: -52.560986
where:
bonds (distance) C4'-P energy: -10.914
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -8.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -91.549802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.549802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.549802 (E_RNA)
where:
Base-Base interactions energy: -44.546
where: short stacking energy: -27.007
Base-Backbone interact. energy: 0.275
local terms energy: -47.279123
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -4.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -78.888562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.888562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.888562 (E_RNA)
where:
Base-Base interactions energy: -29.150
where: short stacking energy: -22.341
Base-Backbone interact. energy: -0.207
local terms energy: -49.531200
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -7.129
tors. eta vs tors. theta energy: -1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -230.522667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.522667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.522667 (E_RNA)
where:
Base-Base interactions energy: -153.586
where: short stacking energy: -68.966
Base-Backbone interact. energy: -1.258
local terms energy: -75.678863
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -224.448320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.448320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.448320 (E_RNA)
where:
Base-Base interactions energy: -145.820
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.557
local terms energy: -78.071154
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.788
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -207.402130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.402130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.402130 (E_RNA)
where:
Base-Base interactions energy: -137.442
where: short stacking energy: -69.332
Base-Backbone interact. energy: -0.032
local terms energy: -69.928427
where:
bonds (distance) C4'-P energy: -10.898
bonds (distance) P-C4' energy: -13.461
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.552
tors. eta vs tors. theta energy: -18.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -200.097570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.097570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.097570 (E_RNA)
where:
Base-Base interactions energy: -132.696
where: short stacking energy: -44.863
Base-Backbone interact. energy: -0.267
local terms energy: -67.134535
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -185.551243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.551243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.551243 (E_RNA)
where:
Base-Base interactions energy: -119.668
where: short stacking energy: -58.764
Base-Backbone interact. energy: 0.177
local terms energy: -66.060703
where:
bonds (distance) C4'-P energy: -15.316
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -12.588
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: -13.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -130.565141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.565141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.565141 (E_RNA)
where:
Base-Base interactions energy: -76.871
where: short stacking energy: -46.281
Base-Backbone interact. energy: -0.397
local terms energy: -53.296819
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -5.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -92.627664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.627664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.627664 (E_RNA)
where:
Base-Base interactions energy: -38.608
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.073
local terms energy: -53.947012
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -9.728
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -6.551
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: 6
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -115.979088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.979088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.979088 (E_RNA)
where:
Base-Base interactions energy: -61.119
where: short stacking energy: -28.864
Base-Backbone interact. energy: -0.231
local terms energy: -54.628927
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -5.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -78.720768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.720768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.720768 (E_RNA)
where:
Base-Base interactions energy: -25.007
where: short stacking energy: -26.207
Base-Backbone interact. energy: -0.035
local terms energy: -53.678696
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -12.749
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -5.662
tors. eta vs tors. theta energy: -2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -74.156366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.156366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.156366 (E_RNA)
where:
Base-Base interactions energy: -21.660
where: short stacking energy: -21.660
Base-Backbone interact. energy: -0.114
local terms energy: -52.382221
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -4.021
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -222.971850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.971850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.971850 (E_RNA)
where:
Base-Base interactions energy: -149.943
where: short stacking energy: -64.883
Base-Backbone interact. energy: -0.370
local terms energy: -72.658582
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -9.004
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -224.652911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.652911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.652911 (E_RNA)
where:
Base-Base interactions energy: -153.177
where: short stacking energy: -63.038
Base-Backbone interact. energy: -0.257
local terms energy: -71.218918
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -20.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -220.310503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.310503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.310503 (E_RNA)
where:
Base-Base interactions energy: -150.138
where: short stacking energy: -73.242
Base-Backbone interact. energy: -0.169
local terms energy: -70.003160
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -12.966
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -21.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -187.501633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.501633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.501633 (E_RNA)
where:
Base-Base interactions energy: -126.320
where: short stacking energy: -55.866
Base-Backbone interact. energy: -0.991
local terms energy: -60.190333
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.582
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -185.665459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.665459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.665459 (E_RNA)
where:
Base-Base interactions energy: -118.246
where: short stacking energy: -62.450
Base-Backbone interact. energy: -0.175
local terms energy: -67.244437
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -16.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -133.700918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.700918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.700918 (E_RNA)
where:
Base-Base interactions energy: -73.237
where: short stacking energy: -39.740
Base-Backbone interact. energy: -0.379
local terms energy: -60.085032
where:
bonds (distance) C4'-P energy: -16.488
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -10.581
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -7.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -96.459688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.459688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.459688 (E_RNA)
where:
Base-Base interactions energy: -50.214
where: short stacking energy: -29.533
Base-Backbone interact. energy: -0.139
local terms energy: -46.106302
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -10.086
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -2.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -83.657934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.657934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.657934 (E_RNA)
where:
Base-Base interactions energy: -28.593
where: short stacking energy: -27.361
Base-Backbone interact. energy: 0.286
local terms energy: -55.350569
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -10.759
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -118.701037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.701037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.701037 (E_RNA)
where:
Base-Base interactions energy: -71.647
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.377
local terms energy: -46.677213
where:
bonds (distance) C4'-P energy: -9.640
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -13.643
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -3.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -84.643490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.643490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.643490 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -20.324
Base-Backbone interact. energy: -0.250
local terms energy: -48.985151
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -14.330
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -3.917
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: 1, replica: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -231.157862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.157862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.157862 (E_RNA)
where:
Base-Base interactions energy: -151.783
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.347
local terms energy: -79.027627
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -20.156
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: 2, replica: 4
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -222.691018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.691018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.691018 (E_RNA)
where:
Base-Base interactions energy: -151.377
where: short stacking energy: -67.655
Base-Backbone interact. energy: -0.233
local terms energy: -71.081356
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.235
tors. eta vs tors. theta energy: -13.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -217.178837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.178837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.178837 (E_RNA)
where:
Base-Base interactions energy: -146.125
where: short stacking energy: -68.832
Base-Backbone interact. energy: -0.076
local terms energy: -70.977880
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -19.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -184.538121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.538121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.538121 (E_RNA)
where:
Base-Base interactions energy: -117.999
where: short stacking energy: -51.671
Base-Backbone interact. energy: -0.751
local terms energy: -65.788429
where:
bonds (distance) C4'-P energy: -14.123
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -13.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -195.694915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.694915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.694915 (E_RNA)
where:
Base-Base interactions energy: -125.788
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.188
local terms energy: -69.719124
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.287
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -14.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -145.219096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.219096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.219096 (E_RNA)
where:
Base-Base interactions energy: -91.447
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.280
local terms energy: -53.491647
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -11.539
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -84.242874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.242874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.242874 (E_RNA)
where:
Base-Base interactions energy: -31.598
where: short stacking energy: -26.063
Base-Backbone interact. energy: -0.325
local terms energy: -52.320430
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -2.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -89.874457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.874457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.874457 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -30.302
Base-Backbone interact. energy: -0.532
local terms energy: -56.616813
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.094
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: 152
Temperature: 1.300000
Total energy: -96.633084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.633084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.633084 (E_RNA)
where:
Base-Base interactions energy: -47.144
where: short stacking energy: -20.459
Base-Backbone interact. energy: -0.428
local terms energy: -49.061690
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: 1.260
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: 6
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -79.517928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.517928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.517928 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.149
local terms energy: -45.337605
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -8.804
flat angles P-C4'-P energy: -11.334
tors. eta vs tors. theta energy: -1.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -225.114295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.114295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.114295 (E_RNA)
where:
Base-Base interactions energy: -151.983
where: short stacking energy: -70.581
Base-Backbone interact. energy: -0.711
local terms energy: -72.420353
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.927
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: 2, replica: 7
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -220.592403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.592403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.592403 (E_RNA)
where:
Base-Base interactions energy: -151.161
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.049
local terms energy: -69.382724
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -8.298
tors. eta vs tors. theta energy: -19.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -212.722607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.722607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.722607 (E_RNA)
where:
Base-Base interactions energy: -142.398
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.394
local terms energy: -69.930654
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -10.693
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: 4, replica: 8
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -193.367762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.367762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.367762 (E_RNA)
where:
Base-Base interactions energy: -127.457
where: short stacking energy: -58.949
Base-Backbone interact. energy: -0.231
local terms energy: -65.680265
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.622
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: 5, replica: 1
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -195.797957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.797957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.797957 (E_RNA)
where:
Base-Base interactions energy: -129.545
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.190
local terms energy: -66.063429
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -15.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -143.747503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.747503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.747503 (E_RNA)
where:
Base-Base interactions energy: -76.967
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.013
local terms energy: -66.767559
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -9.478
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: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -121.150183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.150183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.150183 (E_RNA)
where:
Base-Base interactions energy: -69.610
where: short stacking energy: -42.334
Base-Backbone interact. energy: -0.189
local terms energy: -51.351668
where:
bonds (distance) C4'-P energy: -8.738
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -76.503738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.503738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.503738 (E_RNA)
where:
Base-Base interactions energy: -31.025
where: short stacking energy: -22.618
Base-Backbone interact. energy: -0.545
local terms energy: -44.933568
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -8.766
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -78.273374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.273374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.273374 (E_RNA)
where:
Base-Base interactions energy: -30.581
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.152
local terms energy: -47.540260
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -13.968
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -3.505
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: 10, replica: 6
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -133.145768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.145768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.145768 (E_RNA)
where:
Base-Base interactions energy: -85.371
where: short stacking energy: -36.893
Base-Backbone interact. energy: -0.215
local terms energy: -47.559857
where:
bonds (distance) C4'-P energy: -10.961
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -8.837
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -5.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -235.578274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.578274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.578274 (E_RNA)
where:
Base-Base interactions energy: -156.908
where: short stacking energy: -78.316
Base-Backbone interact. energy: -0.018
local terms energy: -78.652287
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -10.665
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: 2, replica: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -226.709765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.709765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.709765 (E_RNA)
where:
Base-Base interactions energy: -144.552
where: short stacking energy: -69.527
Base-Backbone interact. energy: -0.093
local terms energy: -82.063814
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -13.357
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -209.014116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.014116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.014116 (E_RNA)
where:
Base-Base interactions energy: -137.979
where: short stacking energy: -61.622
Base-Backbone interact. energy: 0.104
local terms energy: -71.139273
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.013
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -192.863027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.863027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.863027 (E_RNA)
where:
Base-Base interactions energy: -131.764
where: short stacking energy: -53.393
Base-Backbone interact. energy: -0.220
local terms energy: -60.879419
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -10.654
tors. eta vs tors. theta energy: -11.137
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: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -149.050206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.050206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.050206 (E_RNA)
where:
Base-Base interactions energy: -93.664
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.020
local terms energy: -55.365510
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -6.325
tors. eta vs tors. theta energy: -5.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -186.944907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.944907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.944907 (E_RNA)
where:
Base-Base interactions energy: -119.417
where: short stacking energy: -57.704
Base-Backbone interact. energy: -0.001
local terms energy: -67.526432
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -123.304365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.304365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.304365 (E_RNA)
where:
Base-Base interactions energy: -64.970
where: short stacking energy: -38.553
Base-Backbone interact. energy: -0.202
local terms energy: -58.131972
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -6.114
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: 5
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -81.525501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.525501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.525501 (E_RNA)
where:
Base-Base interactions energy: -28.363
where: short stacking energy: -20.848
Base-Backbone interact. energy: -0.220
local terms energy: -52.941823
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -92.930562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.930562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.930562 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -29.484
Base-Backbone interact. energy: -0.179
local terms energy: -60.584526
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -5.209
tors. eta vs tors. theta energy: -8.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -77.913021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.913021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.913021 (E_RNA)
where:
Base-Base interactions energy: -31.644
where: short stacking energy: -26.185
Base-Backbone interact. energy: -0.750
local terms energy: -45.518886
where:
bonds (distance) C4'-P energy: -11.805
bonds (distance) P-C4' energy: -10.279
flat angles C4'-P-C4' energy: -11.055
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -2.425
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: 7
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -228.817559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.817559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.817559 (E_RNA)
where:
Base-Base interactions energy: -151.316
where: short stacking energy: -69.330
Base-Backbone interact. energy: -0.001
local terms energy: -77.500246
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -214.873775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.873775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.873775 (E_RNA)
where:
Base-Base interactions energy: -146.803
where: short stacking energy: -59.300
Base-Backbone interact. energy: -1.129
local terms energy: -66.941940
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -15.514
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -15.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -221.268998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.268998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.268998 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -59.623
Base-Backbone interact. energy: 2.473
local terms energy: -75.474205
where:
bonds (distance) C4'-P energy: -12.409
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -185.584700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.584700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.584700 (E_RNA)
where:
Base-Base interactions energy: -117.294
where: short stacking energy: -58.355
Base-Backbone interact. energy: -0.923
local terms energy: -67.367689
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -159.217869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.217869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.217869 (E_RNA)
where:
Base-Base interactions energy: -98.697
where: short stacking energy: -47.411
Base-Backbone interact. energy: -1.149
local terms energy: -59.371553
where:
bonds (distance) C4'-P energy: -8.915
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.972
flat angles P-C4'-P energy: -11.083
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: 6, replica: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -164.463573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.463573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.463573 (E_RNA)
where:
Base-Base interactions energy: -99.272
where: short stacking energy: -62.490
Base-Backbone interact. energy: -0.001
local terms energy: -65.190889
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -11.613
flat angles P-C4'-P energy: -10.784
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: 7, replica: 2
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -127.260727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.260727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.260727 (E_RNA)
where:
Base-Base interactions energy: -70.220
where: short stacking energy: -45.057
Base-Backbone interact. energy: -0.269
local terms energy: -56.772477
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -9.475
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: 9
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -78.031631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.031631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.031631 (E_RNA)
where:
Base-Base interactions energy: -26.266
where: short stacking energy: -19.706
Base-Backbone interact. energy: 1.458
local terms energy: -53.223641
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -14.433
flat angles P-C4'-P energy: -6.387
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: 9, replica: 5
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -80.018962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.018962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.018962 (E_RNA)
where:
Base-Base interactions energy: -29.033
where: short stacking energy: -29.033
Base-Backbone interact. energy: -0.448
local terms energy: -50.538267
where:
bonds (distance) C4'-P energy: -9.602
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -9.519
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -4.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -87.387325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.387325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.387325 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -19.698
Base-Backbone interact. energy: -1.214
local terms energy: -40.281803
where:
bonds (distance) C4'-P energy: -9.544
bonds (distance) P-C4' energy: -13.374
flat angles C4'-P-C4' energy: -8.437
flat angles P-C4'-P energy: -7.363
tors. eta vs tors. theta energy: -1.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -222.438215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.438215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.438215 (E_RNA)
where:
Base-Base interactions energy: -153.005
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.668
local terms energy: -68.765284
where:
bonds (distance) C4'-P energy: -12.215
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -15.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -228.012774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.012774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.012774 (E_RNA)
where:
Base-Base interactions energy: -149.968
where: short stacking energy: -79.987
Base-Backbone interact. energy: -0.003
local terms energy: -78.041955
where:
bonds (distance) C4'-P energy: -14.877
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -16.140
flat angles P-C4'-P energy: -10.835
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: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -226.955744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.955744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.955744 (E_RNA)
where:
Base-Base interactions energy: -154.569
where: short stacking energy: -75.442
Base-Backbone interact. energy: -0.122
local terms energy: -72.264685
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -13.468
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -13.033
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: 4, replica: 8
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -181.696782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.696782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.696782 (E_RNA)
where:
Base-Base interactions energy: -119.174
where: short stacking energy: -61.381
Base-Backbone interact. energy: -0.051
local terms energy: -62.471827
where:
bonds (distance) C4'-P energy: -11.553
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -11.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -190.645403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.645403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.645403 (E_RNA)
where:
Base-Base interactions energy: -122.433
where: short stacking energy: -62.650
Base-Backbone interact. energy: -0.005
local terms energy: -68.207350
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.870
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -19.186
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: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -154.460433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.460433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.460433 (E_RNA)
where:
Base-Base interactions energy: -94.890
where: short stacking energy: -48.133
Base-Backbone interact. energy: -0.553
local terms energy: -59.017728
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -128.049695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.049695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.049695 (E_RNA)
where:
Base-Base interactions energy: -77.584
where: short stacking energy: -31.406
Base-Backbone interact. energy: 5.906
local terms energy: -56.370799
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -16.620
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -7.640
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: 8, replica: 9
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -113.759979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.759979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.759979 (E_RNA)
where:
Base-Base interactions energy: -62.559
where: short stacking energy: -45.437
Base-Backbone interact. energy: -1.129
local terms energy: -50.071565
where:
bonds (distance) C4'-P energy: -7.996
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -6.157
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -77.237194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.237194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.237194 (E_RNA)
where:
Base-Base interactions energy: -35.809
where: short stacking energy: -35.045
Base-Backbone interact. energy: 0.388
local terms energy: -41.815784
where:
bonds (distance) C4'-P energy: -7.048
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -4.771
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -78.867920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.867920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.867920 (E_RNA)
where:
Base-Base interactions energy: -30.405
where: short stacking energy: -29.710
Base-Backbone interact. energy: -0.062
local terms energy: -48.401175
where:
bonds (distance) C4'-P energy: -9.943
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -7.771
tors. eta vs tors. theta energy: -2.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -213.850011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.850011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.850011 (E_RNA)
where:
Base-Base interactions energy: -139.746
where: short stacking energy: -58.618
Base-Backbone interact. energy: -0.449
local terms energy: -73.654975
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -13.786
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: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -232.956861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.956861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.956861 (E_RNA)
where:
Base-Base interactions energy: -150.250
where: short stacking energy: -79.192
Base-Backbone interact. energy: -0.012
local terms energy: -82.695155
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -17.455
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -219.474731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.474731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.474731 (E_RNA)
where:
Base-Base interactions energy: -143.370
where: short stacking energy: -63.541
Base-Backbone interact. energy: -0.472
local terms energy: -75.632916
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -190.853634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.853634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.853634 (E_RNA)
where:
Base-Base interactions energy: -118.603
where: short stacking energy: -57.916
Base-Backbone interact. energy: -0.030
local terms energy: -72.220492
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -19.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -189.738821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.738821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.738821 (E_RNA)
where:
Base-Base interactions energy: -132.309
where: short stacking energy: -54.937
Base-Backbone interact. energy: -0.324
local terms energy: -57.106591
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -10.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -149.096332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.096332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.096332 (E_RNA)
where:
Base-Base interactions energy: -88.886
where: short stacking energy: -50.769
Base-Backbone interact. energy: -0.018
local terms energy: -60.192444
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -7.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -87.075420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.075420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.075420 (E_RNA)
where:
Base-Base interactions energy: -24.689
where: short stacking energy: -24.689
Base-Backbone interact. energy: -0.033
local terms energy: -62.353913
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -3.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -93.278716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.278716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.278716 (E_RNA)
where:
Base-Base interactions energy: -36.917
where: short stacking energy: -35.455
Base-Backbone interact. energy: -0.750
local terms energy: -55.611927
where:
bonds (distance) C4'-P energy: -12.911
bonds (distance) P-C4' energy: -13.447
flat angles C4'-P-C4' energy: -9.580
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -8.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -81.623974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.623974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.623974 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -26.562
Base-Backbone interact. energy: -0.062
local terms energy: -50.529531
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -11.034
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -1.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -84.147826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.147826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.147826 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -20.966
Base-Backbone interact. energy: -0.171
local terms energy: -44.614997
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -7.869
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -235.445859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.445859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.445859 (E_RNA)
where:
Base-Base interactions energy: -157.676
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.018
local terms energy: -77.752367
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -18.063
flat angles P-C4'-P energy: -12.236
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: 2, replica: 4
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -219.726667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.726667 (E_RNA)
where:
Base-Base interactions energy: -141.697
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.388
local terms energy: -77.640875
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -200.756635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.756635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.756635 (E_RNA)
where:
Base-Base interactions energy: -133.199
where: short stacking energy: -54.681
Base-Backbone interact. energy: 0.587
local terms energy: -68.144593
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -8.510
tors. eta vs tors. theta energy: -14.564
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: 10
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -217.080334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.080334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.080334 (E_RNA)
where:
Base-Base interactions energy: -143.219
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.305
local terms energy: -73.555693
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -12.414
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -8.009
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: 8
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -185.390460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.390460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.390460 (E_RNA)
where:
Base-Base interactions energy: -125.980
where: short stacking energy: -52.257
Base-Backbone interact. energy: -0.223
local terms energy: -59.187810
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -7.256
tors. eta vs tors. theta energy: -11.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -156.261221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.261221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.261221 (E_RNA)
where:
Base-Base interactions energy: -87.189
where: short stacking energy: -43.038
Base-Backbone interact. energy: -0.164
local terms energy: -68.907903
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -10.324
tors. eta vs tors. theta energy: -11.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -93.126929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.126929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.126929 (E_RNA)
where:
Base-Base interactions energy: -47.343
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.282
local terms energy: -45.502358
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -13.241
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -12.594
tors. eta vs tors. theta energy: -3.053
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: 2
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -83.944713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.944713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.944713 (E_RNA)
where:
Base-Base interactions energy: -33.571
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.084
local terms energy: -50.290117
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -5.020
flat angles P-C4'-P energy: -9.823
tors. eta vs tors. theta energy: -3.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -86.596094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596094 (E_RNA)
where:
Base-Base interactions energy: -26.357
where: short stacking energy: -23.080
Base-Backbone interact. energy: -0.068
local terms energy: -60.171299
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -10.446
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -14.035
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -77.184194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.184194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.184194 (E_RNA)
where:
Base-Base interactions energy: -33.010
where: short stacking energy: -26.268
Base-Backbone interact. energy: 0.831
local terms energy: -45.005354
where:
bonds (distance) C4'-P energy: -10.758
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -1.585
tors. eta vs tors. theta energy: -0.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -232.404335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.404335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.404335 (E_RNA)
where:
Base-Base interactions energy: -153.282
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.024
local terms energy: -79.097790
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -11.542
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -219.116699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.116699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.116699 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -68.747
Base-Backbone interact. energy: -0.649
local terms energy: -75.777018
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -17.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -192.418944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.418944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.418944 (E_RNA)
where:
Base-Base interactions energy: -124.517
where: short stacking energy: -60.578
Base-Backbone interact. energy: -0.221
local terms energy: -67.680869
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -12.271
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: 4, replica: 8
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -184.517533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.517533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.517533 (E_RNA)
where:
Base-Base interactions energy: -119.729
where: short stacking energy: -50.389
Base-Backbone interact. energy: -0.635
local terms energy: -64.153652
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -12.658
flat angles C4'-P-C4' energy: -11.889
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -12.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -207.231587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.231587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.231587 (E_RNA)
where:
Base-Base interactions energy: -132.628
where: short stacking energy: -60.494
Base-Backbone interact. energy: -0.206
local terms energy: -74.397389
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -17.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -154.198680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.198680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.198680 (E_RNA)
where:
Base-Base interactions energy: -84.330
where: short stacking energy: -47.333
Base-Backbone interact. energy: -1.188
local terms energy: -68.680953
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -12.358
tors. eta vs tors. theta energy: -12.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -97.024792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.024792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.024792 (E_RNA)
where:
Base-Base interactions energy: -46.585
where: short stacking energy: -29.785
Base-Backbone interact. energy: 0.804
local terms energy: -51.243056
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -14.166
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.598
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: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -82.690980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.690980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.690980 (E_RNA)
where:
Base-Base interactions energy: -35.647
where: short stacking energy: -28.390
Base-Backbone interact. energy: -0.075
local terms energy: -46.968924
where:
bonds (distance) C4'-P energy: -9.723
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.696
flat angles P-C4'-P energy: -7.261
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: 2
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -90.722858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.722858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.722858 (E_RNA)
where:
Base-Base interactions energy: -36.065
where: short stacking energy: -32.446
Base-Backbone interact. energy: -0.967
local terms energy: -53.690737
where:
bonds (distance) C4'-P energy: -10.448
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -10.006
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -8.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -93.511543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.511543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.511543 (E_RNA)
where:
Base-Base interactions energy: -39.908
where: short stacking energy: -39.908
Base-Backbone interact. energy: -0.066
local terms energy: -53.536688
where:
bonds (distance) C4'-P energy: -11.581
bonds (distance) P-C4' energy: -11.558
flat angles C4'-P-C4' energy: -11.774
flat angles P-C4'-P energy: -10.154
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: 4
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -220.413522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.413522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.413522 (E_RNA)
where:
Base-Base interactions energy: -143.733
where: short stacking energy: -66.620
Base-Backbone interact. energy: -0.275
local terms energy: -76.405862
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -15.078
flat angles C4'-P-C4' energy: -17.364
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -17.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -228.436390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.436390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.436390 (E_RNA)
where:
Base-Base interactions energy: -152.983
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.000
local terms energy: -75.453569
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -14.637
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -190.200725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.200725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.200725 (E_RNA)
where:
Base-Base interactions energy: -126.383
where: short stacking energy: -57.567
Base-Backbone interact. energy: 0.335
local terms energy: -64.153488
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -9.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -190.050357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.050357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.050357 (E_RNA)
where:
Base-Base interactions energy: -127.012
where: short stacking energy: -50.307
Base-Backbone interact. energy: -0.601
local terms energy: -62.437657
where:
bonds (distance) C4'-P energy: -10.277
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -12.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -202.775888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.775888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.775888 (E_RNA)
where:
Base-Base interactions energy: -126.739
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.012
local terms energy: -76.025014
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -12.834
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: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -138.786217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.786217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.786217 (E_RNA)
where:
Base-Base interactions energy: -81.679
where: short stacking energy: -38.739
Base-Backbone interact. energy: 0.665
local terms energy: -57.772369
where:
bonds (distance) C4'-P energy: -10.049
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -11.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -89.187146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.187146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.187146 (E_RNA)
where:
Base-Base interactions energy: -35.208
where: short stacking energy: -33.333
Base-Backbone interact. energy: -0.041
local terms energy: -53.938638
where:
bonds (distance) C4'-P energy: -10.058
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -13.382
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -8.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -94.437925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.437925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.437925 (E_RNA)
where:
Base-Base interactions energy: -46.075
where: short stacking energy: -46.075
Base-Backbone interact. energy: -0.183
local terms energy: -48.179361
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -7.220
flat angles C4'-P-C4' energy: -9.544
flat angles P-C4'-P energy: -9.803
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: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -94.251955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251955 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -25.764
Base-Backbone interact. energy: -0.382
local terms energy: -50.916703
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -11.255
flat angles C4'-P-C4' energy: -12.315
flat angles P-C4'-P energy: -5.489
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: 10, replica: 2
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -82.050714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.050714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.050714 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.069
local terms energy: -48.592459
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -12.538
flat angles C4'-P-C4' energy: -10.625
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -4.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -220.186601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.186601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.186601 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.740
local terms energy: -76.325873
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -224.065259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.065259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.065259 (E_RNA)
where:
Base-Base interactions energy: -151.323
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.620
local terms energy: -72.121702
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -19.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -194.679437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.679437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.679437 (E_RNA)
where:
Base-Base interactions energy: -132.409
where: short stacking energy: -59.513
Base-Backbone interact. energy: -0.031
local terms energy: -62.240183
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -12.446
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: 10
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -216.390307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.390307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.390307 (E_RNA)
where:
Base-Base interactions energy: -139.624
where: short stacking energy: -60.718
Base-Backbone interact. energy: -0.322
local terms energy: -76.444583
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -9.668
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -18.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -202.305910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.305910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.305910 (E_RNA)
where:
Base-Base interactions energy: -136.055
where: short stacking energy: -55.005
Base-Backbone interact. energy: -0.583
local terms energy: -65.668211
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -12.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -136.615903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.615903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.615903 (E_RNA)
where:
Base-Base interactions energy: -83.572
where: short stacking energy: -42.280
Base-Backbone interact. energy: -0.414
local terms energy: -52.630089
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.646
flat angles C4'-P-C4' energy: -9.494
flat angles P-C4'-P energy: -6.290
tors. eta vs tors. theta energy: -9.505
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: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -95.976474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.976474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.976474 (E_RNA)
where:
Base-Base interactions energy: -41.033
where: short stacking energy: -36.236
Base-Backbone interact. energy: -0.108
local terms energy: -54.834876
where:
bonds (distance) C4'-P energy: -13.472
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -5.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -88.666821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.666821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.666821 (E_RNA)
where:
Base-Base interactions energy: -55.980
where: short stacking energy: -23.114
Base-Backbone interact. energy: 0.908
local terms energy: -33.594681
where:
bonds (distance) C4'-P energy: -11.147
bonds (distance) P-C4' energy: -11.658
flat angles C4'-P-C4' energy: -5.817
flat angles P-C4'-P energy: -10.799
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: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -88.808958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.808958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.808958 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -36.198
Base-Backbone interact. energy: -0.128
local terms energy: -50.880617
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.793
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -6.601
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: 2
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -79.372504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.372504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.372504 (E_RNA)
where:
Base-Base interactions energy: -25.131
where: short stacking energy: -22.619
Base-Backbone interact. energy: -0.880
local terms energy: -53.361282
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -10.858
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: 1, replica: 7
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -227.563396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.563396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.563396 (E_RNA)
where:
Base-Base interactions energy: -146.424
where: short stacking energy: -64.333
Base-Backbone interact. energy: -0.223
local terms energy: -80.916056
where:
bonds (distance) C4'-P energy: -14.757
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -11.096
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: 2, replica: 4
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -220.177753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.177753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.177753 (E_RNA)
where:
Base-Base interactions energy: -151.426
where: short stacking energy: -57.369
Base-Backbone interact. energy: 0.339
local terms energy: -69.090814
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -14.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -184.391000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.391000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.391000 (E_RNA)
where:
Base-Base interactions energy: -129.732
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.711
local terms energy: -53.947848
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.169
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -8.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -216.510318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.510318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.510318 (E_RNA)
where:
Base-Base interactions energy: -155.467
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.000
local terms energy: -61.042757
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -8.465
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -20.111
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: 1
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -185.399891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.399891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.399891 (E_RNA)
where:
Base-Base interactions energy: -119.736
where: short stacking energy: -52.434
Base-Backbone interact. energy: -0.119
local terms energy: -65.545203
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -7.569
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -135.602188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.602188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.602188 (E_RNA)
where:
Base-Base interactions energy: -86.148
where: short stacking energy: -33.601
Base-Backbone interact. energy: -0.018
local terms energy: -49.436394
where:
bonds (distance) C4'-P energy: -11.097
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -6.533
tors. eta vs tors. theta energy: -6.417
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: 9
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -144.171358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.171358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.171358 (E_RNA)
where:
Base-Base interactions energy: -84.319
where: short stacking energy: -38.751
Base-Backbone interact. energy: 0.347
local terms energy: -60.199826
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -9.852
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: 8, replica: 5
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -89.623811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.623811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.623811 (E_RNA)
where:
Base-Base interactions energy: -35.706
where: short stacking energy: -30.530
Base-Backbone interact. energy: -1.147
local terms energy: -52.770527
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -6.975
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -94.598385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.598385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.598385 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -37.139
Base-Backbone interact. energy: -0.110
local terms energy: -50.501838
where:
bonds (distance) C4'-P energy: -11.322
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -3.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -78.969923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.969923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.969923 (E_RNA)
where:
Base-Base interactions energy: -29.928
where: short stacking energy: -28.702
Base-Backbone interact. energy: -0.382
local terms energy: -48.660085
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -7.219
tors. eta vs tors. theta energy: -0.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -233.310145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.310145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.310145 (E_RNA)
where:
Base-Base interactions energy: -149.140
where: short stacking energy: -72.738
Base-Backbone interact. energy: -0.413
local terms energy: -83.757303
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -13.665
tors. eta vs tors. theta energy: -24.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -207.657637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.657637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.657637 (E_RNA)
where:
Base-Base interactions energy: -141.217
where: short stacking energy: -65.895
Base-Backbone interact. energy: -0.344
local terms energy: -66.097348
where:
bonds (distance) C4'-P energy: -16.434
bonds (distance) P-C4' energy: -11.348
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -10.129
tors. eta vs tors. theta energy: -12.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -198.902264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.902264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.902264 (E_RNA)
where:
Base-Base interactions energy: -140.457
where: short stacking energy: -54.150
Base-Backbone interact. energy: -0.213
local terms energy: -58.231969
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -9.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -186.913876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.913876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.913876 (E_RNA)
where:
Base-Base interactions energy: -118.399
where: short stacking energy: -56.324
Base-Backbone interact. energy: -0.184
local terms energy: -68.331082
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -13.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -214.882646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.882646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.882646 (E_RNA)
where:
Base-Base interactions energy: -146.953
where: short stacking energy: -71.840
Base-Backbone interact. energy: -0.003
local terms energy: -67.926756
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -152.566691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.566691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.566691 (E_RNA)
where:
Base-Base interactions energy: -100.138
where: short stacking energy: -43.428
Base-Backbone interact. energy: -0.121
local terms energy: -52.307467
where:
bonds (distance) C4'-P energy: -10.183
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -8.717
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: 3
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -132.959206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.959206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.959206 (E_RNA)
where:
Base-Base interactions energy: -79.350
where: short stacking energy: -48.196
Base-Backbone interact. energy: -0.035
local terms energy: -53.574660
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -9.822
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -1.747
tors. eta vs tors. theta energy: -10.475
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: 163
Temperature: 1.250000
Total energy: -89.383200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.383200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.383200 (E_RNA)
where:
Base-Base interactions energy: -44.869
where: short stacking energy: -30.382
Base-Backbone interact. energy: -0.277
local terms energy: -44.237647
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -2.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -85.593911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.593911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.593911 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -21.610
Base-Backbone interact. energy: -1.022
local terms energy: -45.873823
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -9.984
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -69.344834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.344834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.344834 (E_RNA)
where:
Base-Base interactions energy: -25.493
where: short stacking energy: -23.897
Base-Backbone interact. energy: -0.144
local terms energy: -43.707546
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: 4.502
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: 1, replica: 7
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -229.038524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.038524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.038524 (E_RNA)
where:
Base-Base interactions energy: -148.938
where: short stacking energy: -69.594
Base-Backbone interact. energy: -0.000
local terms energy: -80.100323
where:
bonds (distance) C4'-P energy: -14.778
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -12.408
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: 2, replica: 4
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -213.852181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.852181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.852181 (E_RNA)
where:
Base-Base interactions energy: -147.460
where: short stacking energy: -68.743
Base-Backbone interact. energy: -0.385
local terms energy: -66.007402
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.416
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -16.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -193.949472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.949472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.949472 (E_RNA)
where:
Base-Base interactions energy: -130.073
where: short stacking energy: -61.094
Base-Backbone interact. energy: -0.067
local terms energy: -63.809853
where:
bonds (distance) C4'-P energy: -10.998
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -16.898
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -195.402706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.402706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.402706 (E_RNA)
where:
Base-Base interactions energy: -131.553
where: short stacking energy: -57.959
Base-Backbone interact. energy: -0.509
local terms energy: -63.340673
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -11.812
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -13.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -189.008206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.008206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.008206 (E_RNA)
where:
Base-Base interactions energy: -127.264
where: short stacking energy: -66.369
Base-Backbone interact. energy: -0.009
local terms energy: -61.734450
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -11.051
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -16.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -145.025356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.025356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.025356 (E_RNA)
where:
Base-Base interactions energy: -85.565
where: short stacking energy: -44.579
Base-Backbone interact. energy: -0.252
local terms energy: -59.208347
where:
bonds (distance) C4'-P energy: -10.741
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -12.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -128.722004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.722004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.722004 (E_RNA)
where:
Base-Base interactions energy: -81.056
where: short stacking energy: -39.423
Base-Backbone interact. energy: -0.079
local terms energy: -47.587052
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -7.645
flat angles C4'-P-C4' energy: -12.103
flat angles P-C4'-P energy: -5.894
tors. eta vs tors. theta energy: -6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -84.406172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.406172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.406172 (E_RNA)
where:
Base-Base interactions energy: -41.401
where: short stacking energy: -31.259
Base-Backbone interact. energy: -0.431
local terms energy: -42.574143
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -5.077
tors. eta vs tors. theta energy: 1.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -96.981533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.981533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.981533 (E_RNA)
where:
Base-Base interactions energy: -45.279
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.172
local terms energy: -51.530636
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -8.591
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: 10, replica: 5
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -79.429941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.429941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.429941 (E_RNA)
where:
Base-Base interactions energy: -32.373
where: short stacking energy: -31.097
Base-Backbone interact. energy: -0.075
local terms energy: -46.982239
where:
bonds (distance) C4'-P energy: -9.092
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -12.305
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -4.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -224.686199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.686199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.686199 (E_RNA)
where:
Base-Base interactions energy: -150.478
where: short stacking energy: -65.844
Base-Backbone interact. energy: -0.042
local terms energy: -74.166404
where:
bonds (distance) C4'-P energy: -13.563
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -203.344848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.344848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.344848 (E_RNA)
where:
Base-Base interactions energy: -133.979
where: short stacking energy: -60.735
Base-Backbone interact. energy: -0.217
local terms energy: -69.147924
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.564
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -11.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -207.083374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.083374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.083374 (E_RNA)
where:
Base-Base interactions energy: -141.787
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.497
local terms energy: -64.798934
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -8.417
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: 4, replica: 10
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -210.146590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.146590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.146590 (E_RNA)
where:
Base-Base interactions energy: -144.578
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.136
local terms energy: -65.433043
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.100
tors. eta vs tors. theta energy: -17.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -190.143909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.143909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.143909 (E_RNA)
where:
Base-Base interactions energy: -122.549
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.007
local terms energy: -67.587491
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -7.285
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: 6, replica: 9
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -148.394851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.394851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.394851 (E_RNA)
where:
Base-Base interactions energy: -94.271
where: short stacking energy: -38.146
Base-Backbone interact. energy: -0.674
local terms energy: -53.449308
where:
bonds (distance) C4'-P energy: -10.571
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -5.997
tors. eta vs tors. theta energy: -7.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -115.211716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.211716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.211716 (E_RNA)
where:
Base-Base interactions energy: -57.119
where: short stacking energy: -30.679
Base-Backbone interact. energy: -1.217
local terms energy: -56.875935
where:
bonds (distance) C4'-P energy: -17.701
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -11.648
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -4.339
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: 8, replica: 6
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -81.731472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.731472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.731472 (E_RNA)
where:
Base-Base interactions energy: -29.062
where: short stacking energy: -29.062
Base-Backbone interact. energy: -0.325
local terms energy: -52.344753
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -95.391278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.391278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.391278 (E_RNA)
where:
Base-Base interactions energy: -41.947
where: short stacking energy: -31.751
Base-Backbone interact. energy: 0.015
local terms energy: -53.460109
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -12.511
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -4.502
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: 10, replica: 5
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -79.122268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.122268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.122268 (E_RNA)
where:
Base-Base interactions energy: -27.447
where: short stacking energy: -22.925
Base-Backbone interact. energy: -0.344
local terms energy: -51.331207
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -224.190641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.190641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.190641 (E_RNA)
where:
Base-Base interactions energy: -148.004
where: short stacking energy: -76.428
Base-Backbone interact. energy: -0.216
local terms energy: -75.969734
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -21.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -202.811210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.811210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.811210 (E_RNA)
where:
Base-Base interactions energy: -142.333
where: short stacking energy: -49.751
Base-Backbone interact. energy: -0.652
local terms energy: -59.825744
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -216.655997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.655997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.655997 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -67.481
Base-Backbone interact. energy: -0.082
local terms energy: -80.583240
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -16.281
flat angles P-C4'-P energy: -12.546
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: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -204.116886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.116886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.116886 (E_RNA)
where:
Base-Base interactions energy: -136.024
where: short stacking energy: -57.276
Base-Backbone interact. energy: -0.529
local terms energy: -67.563348
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -9.186
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: 5, replica: 1
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -177.508521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.508521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.508521 (E_RNA)
where:
Base-Base interactions energy: -109.986
where: short stacking energy: -56.345
Base-Backbone interact. energy: -0.361
local terms energy: -67.162071
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.872
flat angles P-C4'-P energy: -12.597
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -154.347303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.347303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.347303 (E_RNA)
where:
Base-Base interactions energy: -91.223
where: short stacking energy: -45.638
Base-Backbone interact. energy: -0.000
local terms energy: -63.123862
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -6.755
flat angles P-C4'-P energy: -10.499
tors. eta vs tors. theta energy: -15.522
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: 7, replica: 3
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -134.455913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.455913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.455913 (E_RNA)
where:
Base-Base interactions energy: -74.409
where: short stacking energy: -48.461
Base-Backbone interact. energy: -0.181
local terms energy: -59.865326
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -13.314
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -9.840
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: 8, replica: 6
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -76.107640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.107640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.107640 (E_RNA)
where:
Base-Base interactions energy: -28.260
where: short stacking energy: -21.755
Base-Backbone interact. energy: -0.713
local terms energy: -47.134922
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -8.142
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: 1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -73.639938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.639938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.639938 (E_RNA)
where:
Base-Base interactions energy: -18.588
where: short stacking energy: -18.588
Base-Backbone interact. energy: -0.181
local terms energy: -54.871411
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -12.480
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: 10, replica: 2
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -104.984318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.984318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.984318 (E_RNA)
where:
Base-Base interactions energy: -50.684
where: short stacking energy: -19.727
Base-Backbone interact. energy: -0.029
local terms energy: -54.271819
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -4.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -231.672749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.672749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.672749 (E_RNA)
where:
Base-Base interactions energy: -154.346
where: short stacking energy: -70.379
Base-Backbone interact. energy: -0.002
local terms energy: -77.324775
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -10.808
tors. eta vs tors. theta energy: -19.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -226.473063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.473063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.473063 (E_RNA)
where:
Base-Base interactions energy: -148.076
where: short stacking energy: -76.033
Base-Backbone interact. energy: -0.002
local terms energy: -78.395430
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -21.985
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: 8
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -212.741357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.741357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.741357 (E_RNA)
where:
Base-Base interactions energy: -150.054
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.678
local terms energy: -62.008708
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -10.985
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -11.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -204.424500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.424500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.424500 (E_RNA)
where:
Base-Base interactions energy: -132.910
where: short stacking energy: -60.509
Base-Backbone interact. energy: -0.274
local terms energy: -71.240644
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -8.262
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: 5, replica: 1
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -183.881828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.881828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.881828 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -58.901
Base-Backbone interact. energy: 0.107
local terms energy: -60.629073
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -14.913
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -9.294
tors. eta vs tors. theta energy: -9.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -152.280223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.280223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.280223 (E_RNA)
where:
Base-Base interactions energy: -99.123
where: short stacking energy: -46.558
Base-Backbone interact. energy: -0.096
local terms energy: -53.061217
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -8.106
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -4.535
tors. eta vs tors. theta energy: -10.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -130.600212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.600212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.600212 (E_RNA)
where:
Base-Base interactions energy: -71.052
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.240
local terms energy: -59.308074
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -17.196
flat angles C4'-P-C4' energy: -10.545
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -7.470
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: 5
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -90.031037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.031037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.031037 (E_RNA)
where:
Base-Base interactions energy: -41.658
where: short stacking energy: -24.126
Base-Backbone interact. energy: -0.269
local terms energy: -48.104095
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -10.474
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -76.978049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.978049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.978049 (E_RNA)
where:
Base-Base interactions energy: -36.072
where: short stacking energy: -35.154
Base-Backbone interact. energy: -0.542
local terms energy: -40.364647
where:
bonds (distance) C4'-P energy: -9.333
bonds (distance) P-C4' energy: -13.090
flat angles C4'-P-C4' energy: -6.246
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -87.965101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.965101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.965101 (E_RNA)
where:
Base-Base interactions energy: -37.069
where: short stacking energy: -35.258
Base-Backbone interact. energy: 0.181
local terms energy: -51.077152
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -13.743
flat angles C4'-P-C4' energy: -9.384
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -232.458965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.458965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.458965 (E_RNA)
where:
Base-Base interactions energy: -150.355
where: short stacking energy: -75.078
Base-Backbone interact. energy: -0.192
local terms energy: -81.912108
where:
bonds (distance) C4'-P energy: -17.824
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -8.446
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: 7
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -222.936342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.936342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.936342 (E_RNA)
where:
Base-Base interactions energy: -144.599
where: short stacking energy: -69.766
Base-Backbone interact. energy: -0.000
local terms energy: -78.337103
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.489
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: 4
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -215.861101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.861101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.861101 (E_RNA)
where:
Base-Base interactions energy: -137.063
where: short stacking energy: -65.083
Base-Backbone interact. energy: 1.153
local terms energy: -79.951170
where:
bonds (distance) C4'-P energy: -15.473
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -19.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -199.194126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.194126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.194126 (E_RNA)
where:
Base-Base interactions energy: -137.344
where: short stacking energy: -52.720
Base-Backbone interact. energy: -0.978
local terms energy: -60.871966
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -10.752
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: 1
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -203.540460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.540460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.540460 (E_RNA)
where:
Base-Base interactions energy: -131.196
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.000
local terms energy: -72.343819
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -136.300300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.300300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.300300 (E_RNA)
where:
Base-Base interactions energy: -81.293
where: short stacking energy: -39.311
Base-Backbone interact. energy: -0.315
local terms energy: -54.692365
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -3.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -131.340311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.340311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.340311 (E_RNA)
where:
Base-Base interactions energy: -76.827
where: short stacking energy: -46.301
Base-Backbone interact. energy: -0.048
local terms energy: -54.464775
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -12.311
flat angles C4'-P-C4' energy: -15.030
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -9.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -114.742715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.742715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.742715 (E_RNA)
where:
Base-Base interactions energy: -69.634
where: short stacking energy: -22.241
Base-Backbone interact. energy: -0.287
local terms energy: -44.821446
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -2.183
tors. eta vs tors. theta energy: 0.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -83.146534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.146534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.146534 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -23.011
Base-Backbone interact. energy: 1.362
local terms energy: -49.779957
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -8.354
flat angles P-C4'-P energy: -10.468
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -69.912590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.912590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.912590 (E_RNA)
where:
Base-Base interactions energy: -25.346
where: short stacking energy: -20.103
Base-Backbone interact. energy: -0.017
local terms energy: -44.549903
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -4.788
tors. eta vs tors. theta energy: -1.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -234.527139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.527139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.527139 (E_RNA)
where:
Base-Base interactions energy: -158.254
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.003
local terms energy: -76.270183
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -11.101
tors. eta vs tors. theta energy: -21.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -211.712791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.712791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.712791 (E_RNA)
where:
Base-Base interactions energy: -142.997
where: short stacking energy: -54.962
Base-Backbone interact. energy: 0.061
local terms energy: -68.777213
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -13.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -229.372258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.372258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.372258 (E_RNA)
where:
Base-Base interactions energy: -151.506
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.072
local terms energy: -77.793852
where:
bonds (distance) C4'-P energy: -14.235
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -23.341
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: 169
Temperature: 1.050000
Total energy: -213.540432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.540432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.540432 (E_RNA)
where:
Base-Base interactions energy: -159.748
where: short stacking energy: -60.720
Base-Backbone interact. energy: -0.109
local terms energy: -53.683908
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: 1.206
tors. eta vs tors. theta energy: -11.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -197.690053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.690053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.690053 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -57.230
Base-Backbone interact. energy: -0.003
local terms energy: -69.047016
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -14.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -115.757535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.757535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.757535 (E_RNA)
where:
Base-Base interactions energy: -53.818
where: short stacking energy: -43.295
Base-Backbone interact. energy: -0.131
local terms energy: -61.808549
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -6.890
tors. eta vs tors. theta energy: -8.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -139.386381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.386381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.386381 (E_RNA)
where:
Base-Base interactions energy: -75.318
where: short stacking energy: -48.334
Base-Backbone interact. energy: -0.081
local terms energy: -63.987273
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -76.135459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.135459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.135459 (E_RNA)
where:
Base-Base interactions energy: -30.371
where: short stacking energy: -23.890
Base-Backbone interact. energy: -0.487
local terms energy: -45.277324
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -6.962
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: 2.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -76.892964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.892964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.892964 (E_RNA)
where:
Base-Base interactions energy: -34.563
where: short stacking energy: -12.762
Base-Backbone interact. energy: -1.198
local terms energy: -41.131751
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -12.780
flat angles C4'-P-C4' energy: -8.743
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: 4.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -75.698785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.698785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.698785 (E_RNA)
where:
Base-Base interactions energy: -28.957
where: short stacking energy: -13.147
Base-Backbone interact. energy: 0.201
local terms energy: -46.942793
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: 1.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -230.762471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.762471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.762471 (E_RNA)
where:
Base-Base interactions energy: -147.887
where: short stacking energy: -69.780
Base-Backbone interact. energy: -0.242
local terms energy: -82.633692
where:
bonds (distance) C4'-P energy: -17.373
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -20.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -210.760438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.760438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.760438 (E_RNA)
where:
Base-Base interactions energy: -139.828
where: short stacking energy: -65.833
Base-Backbone interact. energy: -0.241
local terms energy: -70.691824
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -13.873
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -17.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -201.020709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.020709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.020709 (E_RNA)
where:
Base-Base interactions energy: -139.952
where: short stacking energy: -53.713
Base-Backbone interact. energy: -1.026
local terms energy: -60.043140
where:
bonds (distance) C4'-P energy: -14.313
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -5.352
tors. eta vs tors. theta energy: -12.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -218.281885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.281885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.281885 (E_RNA)
where:
Base-Base interactions energy: -146.416
where: short stacking energy: -71.489
Base-Backbone interact. energy: -0.003
local terms energy: -71.863364
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -11.077
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -19.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -192.846652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.846652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.846652 (E_RNA)
where:
Base-Base interactions energy: -129.889
where: short stacking energy: -52.547
Base-Backbone interact. energy: -0.161
local terms energy: -62.796863
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -12.008
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -11.147
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: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -111.726388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.726388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.726388 (E_RNA)
where:
Base-Base interactions energy: -59.853
where: short stacking energy: -51.315
Base-Backbone interact. energy: -0.255
local terms energy: -51.618782
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -13.470
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -5.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -132.832523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.832523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.832523 (E_RNA)
where:
Base-Base interactions energy: -81.522
where: short stacking energy: -45.516
Base-Backbone interact. energy: -0.055
local terms energy: -51.255383
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -2.661
tors. eta vs tors. theta energy: -11.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -99.723737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.723737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.723737 (E_RNA)
where:
Base-Base interactions energy: -50.344
where: short stacking energy: -26.672
Base-Backbone interact. energy: -0.320
local terms energy: -49.059603
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -12.945
flat angles C4'-P-C4' energy: -12.375
flat angles P-C4'-P energy: -8.178
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: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -91.932353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.932353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.932353 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -36.797
Base-Backbone interact. energy: -0.084
local terms energy: -53.545139
where:
bonds (distance) C4'-P energy: -8.808
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: -10.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -81.908058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.908058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.908058 (E_RNA)
where:
Base-Base interactions energy: -29.977
where: short stacking energy: -29.977
Base-Backbone interact. energy: -0.095
local terms energy: -51.836595
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -3.473
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: 10
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -236.662452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.662452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.662452 (E_RNA)
where:
Base-Base interactions energy: -155.255
where: short stacking energy: -74.794
Base-Backbone interact. energy: -0.269
local terms energy: -81.138901
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -12.683
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -211.279890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.279890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.279890 (E_RNA)
where:
Base-Base interactions energy: -141.896
where: short stacking energy: -58.699
Base-Backbone interact. energy: 0.545
local terms energy: -69.929164
where:
bonds (distance) C4'-P energy: -13.731
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -15.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -180.197542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.197542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.197542 (E_RNA)
where:
Base-Base interactions energy: -128.364
where: short stacking energy: -51.586
Base-Backbone interact. energy: -0.187
local terms energy: -51.646592
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -14.339
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -1.477
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -199.311882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.311882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.311882 (E_RNA)
where:
Base-Base interactions energy: -130.503
where: short stacking energy: -70.863
Base-Backbone interact. energy: -0.099
local terms energy: -68.709233
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -13.698
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -5.529
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -210.390776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.390776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.390776 (E_RNA)
where:
Base-Base interactions energy: -137.768
where: short stacking energy: -64.667
Base-Backbone interact. energy: -0.532
local terms energy: -72.091084
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -138.785358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.785358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.785358 (E_RNA)
where:
Base-Base interactions energy: -79.389
where: short stacking energy: -44.871
Base-Backbone interact. energy: -0.619
local terms energy: -58.777803
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -9.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -89.602320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602320 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -23.616
Base-Backbone interact. energy: -0.859
local terms energy: -48.464966
where:
bonds (distance) C4'-P energy: -12.137
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -7.077
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: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -86.830037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.830037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.830037 (E_RNA)
where:
Base-Base interactions energy: -37.907
where: short stacking energy: -25.503
Base-Backbone interact. energy: -0.194
local terms energy: -48.729217
where:
bonds (distance) C4'-P energy: -12.269
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -13.008
flat angles P-C4'-P energy: -7.411
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: 9, replica: 2
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -78.663048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.663048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.663048 (E_RNA)
where:
Base-Base interactions energy: -29.817
where: short stacking energy: -28.791
Base-Backbone interact. energy: -0.060
local terms energy: -48.785565
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -9.704
flat angles P-C4'-P energy: -5.584
tors. eta vs tors. theta energy: -5.256
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: 5
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -80.955290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.955290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.955290 (E_RNA)
where:
Base-Base interactions energy: -32.682
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.487
local terms energy: -47.786459
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -10.091
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -0.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -230.592862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.592862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.592862 (E_RNA)
where:
Base-Base interactions energy: -154.586
where: short stacking energy: -79.880
Base-Backbone interact. energy: -0.705
local terms energy: -75.301186
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -21.844
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: 172
Temperature: 0.950000
Total energy: -221.145136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.145136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.145136 (E_RNA)
where:
Base-Base interactions energy: -148.339
where: short stacking energy: -66.811
Base-Backbone interact. energy: -0.550
local terms energy: -72.256111
where:
bonds (distance) C4'-P energy: -12.885
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -19.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -203.641447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.641447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.641447 (E_RNA)
where:
Base-Base interactions energy: -134.567
where: short stacking energy: -58.343
Base-Backbone interact. energy: -0.125
local terms energy: -68.949384
where:
bonds (distance) C4'-P energy: -10.256
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.539
tors. eta vs tors. theta energy: -18.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -184.627641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.627641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.627641 (E_RNA)
where:
Base-Base interactions energy: -128.208
where: short stacking energy: -56.213
Base-Backbone interact. energy: -0.293
local terms energy: -56.126926
where:
bonds (distance) C4'-P energy: -11.725
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -10.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -201.678519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.678519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.678519 (E_RNA)
where:
Base-Base interactions energy: -128.865
where: short stacking energy: -55.866
Base-Backbone interact. energy: -1.308
local terms energy: -71.505516
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -9.109
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: 6, replica: 9
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -147.639394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.639394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.639394 (E_RNA)
where:
Base-Base interactions energy: -92.704
where: short stacking energy: -48.364
Base-Backbone interact. energy: -0.018
local terms energy: -54.917261
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -14.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -95.727190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.727190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.727190 (E_RNA)
where:
Base-Base interactions energy: -42.187
where: short stacking energy: -23.681
Base-Backbone interact. energy: -0.173
local terms energy: -53.367750
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -87.125100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.125100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.125100 (E_RNA)
where:
Base-Base interactions energy: -35.290
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.192
local terms energy: -51.643201
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -114.226939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.226939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.226939 (E_RNA)
where:
Base-Base interactions energy: -59.256
where: short stacking energy: -39.230
Base-Backbone interact. energy: -0.086
local terms energy: -54.885680
where:
bonds (distance) C4'-P energy: -12.487
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -4.877
tors. eta vs tors. theta energy: -6.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -87.535565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.535565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.535565 (E_RNA)
where:
Base-Base interactions energy: -35.750
where: short stacking energy: -35.750
Base-Backbone interact. energy: -0.113
local terms energy: -51.672291
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -12.476
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -9.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -239.019095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.019095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.019095 (E_RNA)
where:
Base-Base interactions energy: -156.505
where: short stacking energy: -77.210
Base-Backbone interact. energy: -0.487
local terms energy: -82.027479
where:
bonds (distance) C4'-P energy: -14.558
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -22.332
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: 4
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -210.525406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.525406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.525406 (E_RNA)
where:
Base-Base interactions energy: -149.300
where: short stacking energy: -61.027
Base-Backbone interact. energy: -0.397
local terms energy: -60.828332
where:
bonds (distance) C4'-P energy: -11.126
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -7.987
tors. eta vs tors. theta energy: -14.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -199.828184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.828184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.828184 (E_RNA)
where:
Base-Base interactions energy: -134.695
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.150
local terms energy: -64.982837
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -11.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -211.138205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.138205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.138205 (E_RNA)
where:
Base-Base interactions energy: -131.294
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.020
local terms energy: -79.823697
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -19.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -188.539800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.539800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.539800 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -59.244
Base-Backbone interact. energy: -0.090
local terms energy: -61.035086
where:
bonds (distance) C4'-P energy: -8.766
bonds (distance) P-C4' energy: -16.340
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -11.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -147.146481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.146481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.146481 (E_RNA)
where:
Base-Base interactions energy: -83.289
where: short stacking energy: -48.440
Base-Backbone interact. energy: -0.019
local terms energy: -63.837769
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -13.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -91.357061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.357061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.357061 (E_RNA)
where:
Base-Base interactions energy: -44.326
where: short stacking energy: -28.684
Base-Backbone interact. energy: -0.706
local terms energy: -46.324569
where:
bonds (distance) C4'-P energy: -7.200
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -0.909
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: 3
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -91.177208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.177208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.177208 (E_RNA)
where:
Base-Base interactions energy: -43.903
where: short stacking energy: -31.429
Base-Backbone interact. energy: -1.083
local terms energy: -46.190935
where:
bonds (distance) C4'-P energy: -8.095
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -5.394
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: 9, replica: 5
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -84.263869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.263869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.263869 (E_RNA)
where:
Base-Base interactions energy: -32.561
where: short stacking energy: -32.561
Base-Backbone interact. energy: -0.665
local terms energy: -51.037477
where:
bonds (distance) C4'-P energy: -6.929
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -9.039
tors. eta vs tors. theta energy: -2.981
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: 2
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -84.507803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.507803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.507803 (E_RNA)
where:
Base-Base interactions energy: -27.229
where: short stacking energy: -27.229
Base-Backbone interact. energy: -0.157
local terms energy: -57.121458
where:
bonds (distance) C4'-P energy: -15.415
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: -4.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -218.064988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.064988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.064988 (E_RNA)
where:
Base-Base interactions energy: -143.957
where: short stacking energy: -68.774
Base-Backbone interact. energy: -0.667
local terms energy: -73.441430
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -225.740099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.740099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.740099 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.030
local terms energy: -75.080434
where:
bonds (distance) C4'-P energy: -13.878
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -9.107
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: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -216.636886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.636886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.636886 (E_RNA)
where:
Base-Base interactions energy: -143.521
where: short stacking energy: -69.778
Base-Backbone interact. energy: -0.027
local terms energy: -73.088792
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -12.965
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -13.243
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: 174
Temperature: 1.050000
Total energy: -197.133517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.133517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.133517 (E_RNA)
where:
Base-Base interactions energy: -124.476
where: short stacking energy: -55.173
Base-Backbone interact. energy: -0.027
local terms energy: -72.630833
where:
bonds (distance) C4'-P energy: -17.088
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -144.914208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.914208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.914208 (E_RNA)
where:
Base-Base interactions energy: -83.818
where: short stacking energy: -40.539
Base-Backbone interact. energy: -0.314
local terms energy: -60.783031
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -7.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -173.496572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.496572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.496572 (E_RNA)
where:
Base-Base interactions energy: -123.246
where: short stacking energy: -54.368
Base-Backbone interact. energy: -0.006
local terms energy: -50.244485
where:
bonds (distance) C4'-P energy: -6.506
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -9.963
flat angles P-C4'-P energy: -5.929
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: 7, replica: 3
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -91.473684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.473684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.473684 (E_RNA)
where:
Base-Base interactions energy: -38.218
where: short stacking energy: -39.118
Base-Backbone interact. energy: -0.236
local terms energy: -53.019991
where:
bonds (distance) C4'-P energy: -10.856
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -5.689
tors. eta vs tors. theta energy: -7.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -89.756413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.756413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.756413 (E_RNA)
where:
Base-Base interactions energy: -38.779
where: short stacking energy: -24.393
Base-Backbone interact. energy: -0.085
local terms energy: -50.891771
where:
bonds (distance) C4'-P energy: -14.727
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -12.938
flat angles P-C4'-P energy: -8.178
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -96.016923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.016923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.016923 (E_RNA)
where:
Base-Base interactions energy: -54.470
where: short stacking energy: -22.439
Base-Backbone interact. energy: -0.788
local terms energy: -40.758967
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -8.460
flat angles P-C4'-P energy: -4.089
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: 5
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -100.399564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.399564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.399564 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -18.730
Base-Backbone interact. energy: -0.779
local terms energy: -54.775310
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -5.445
tors. eta vs tors. theta energy: -3.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -205.337005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.337005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.337005 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -66.744
Base-Backbone interact. energy: -0.639
local terms energy: -68.966378
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.519
tors. eta vs tors. theta energy: -16.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -221.128878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.128878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.128878 (E_RNA)
where:
Base-Base interactions energy: -145.988
where: short stacking energy: -73.476
Base-Backbone interact. energy: -0.012
local terms energy: -75.128946
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.582
flat angles P-C4'-P energy: -9.677
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: 3, replica: 10
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -221.218649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.218649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.218649 (E_RNA)
where:
Base-Base interactions energy: -151.039
where: short stacking energy: -78.549
Base-Backbone interact. energy: -0.010
local terms energy: -70.169324
where:
bonds (distance) C4'-P energy: -7.817
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -8.278
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: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -186.626767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.626767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.626767 (E_RNA)
where:
Base-Base interactions energy: -121.742
where: short stacking energy: -63.206
Base-Backbone interact. energy: -0.033
local terms energy: -64.852343
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -147.270425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.270425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.270425 (E_RNA)
where:
Base-Base interactions energy: -82.655
where: short stacking energy: -42.251
Base-Backbone interact. energy: -0.043
local terms energy: -64.571968
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -9.593
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: 8
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -172.541030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.541030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.541030 (E_RNA)
where:
Base-Base interactions energy: -121.749
where: short stacking energy: -46.525
Base-Backbone interact. energy: -0.669
local terms energy: -50.122432
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -9.853
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -5.906
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: 3
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -92.112873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.112873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.112873 (E_RNA)
where:
Base-Base interactions energy: -39.059
where: short stacking energy: -39.059
Base-Backbone interact. energy: -0.290
local terms energy: -52.763631
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -2.944
tors. eta vs tors. theta energy: -7.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -129.580613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.580613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.580613 (E_RNA)
where:
Base-Base interactions energy: -80.668
where: short stacking energy: -44.044
Base-Backbone interact. energy: 0.818
local terms energy: -49.730362
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.608
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -3.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -83.816173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816173 (E_RNA)
where:
Base-Base interactions energy: -29.132
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.071
local terms energy: -54.613040
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -8.079
tors. eta vs tors. theta energy: -3.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -73.130233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.130233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.130233 (E_RNA)
where:
Base-Base interactions energy: -26.977
where: short stacking energy: -19.991
Base-Backbone interact. energy: -0.239
local terms energy: -45.913916
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -11.996
tors. eta vs tors. theta energy: 0.151
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: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -230.392587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.392587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.392587 (E_RNA)
where:
Base-Base interactions energy: -152.239
where: short stacking energy: -76.900
Base-Backbone interact. energy: -0.122
local terms energy: -78.031104
where:
bonds (distance) C4'-P energy: -14.463
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -203.309223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.309223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.309223 (E_RNA)
where:
Base-Base interactions energy: -134.533
where: short stacking energy: -62.653
Base-Backbone interact. energy: -0.472
local terms energy: -68.304123
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -8.592
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -218.508862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.508862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.508862 (E_RNA)
where:
Base-Base interactions energy: -138.986
where: short stacking energy: -63.725
Base-Backbone interact. energy: -0.071
local terms energy: -79.450925
where:
bonds (distance) C4'-P energy: -16.732
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -197.957137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.957137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.957137 (E_RNA)
where:
Base-Base interactions energy: -124.250
where: short stacking energy: -62.324
Base-Backbone interact. energy: -0.042
local terms energy: -73.664862
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -7.745
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: 176
Temperature: 1.100000
Total energy: -183.773781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.773781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.773781 (E_RNA)
where:
Base-Base interactions energy: -123.410
where: short stacking energy: -54.247
Base-Backbone interact. energy: -0.625
local terms energy: -59.738416
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -10.590
flat angles C4'-P-C4' energy: -12.841
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -11.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -156.933376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.933376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.933376 (E_RNA)
where:
Base-Base interactions energy: -94.521
where: short stacking energy: -52.753
Base-Backbone interact. energy: -0.577
local terms energy: -61.835192
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -8.330
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -117.786356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.786356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.786356 (E_RNA)
where:
Base-Base interactions energy: -58.699
where: short stacking energy: -30.150
Base-Backbone interact. energy: 0.486
local terms energy: -59.573472
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -3.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -95.414500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.414500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.414500 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -38.977
Base-Backbone interact. energy: -0.180
local terms energy: -49.710859
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -2.992
tors. eta vs tors. theta energy: -6.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -93.861100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.861100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.861100 (E_RNA)
where:
Base-Base interactions energy: -47.099
where: short stacking energy: -33.617
Base-Backbone interact. energy: -0.201
local terms energy: -46.561374
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -11.175
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -2.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -72.980297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.980297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.980297 (E_RNA)
where:
Base-Base interactions energy: -41.846
where: short stacking energy: -25.607
Base-Backbone interact. energy: 4.206
local terms energy: -35.339738
where:
bonds (distance) C4'-P energy: -4.705
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: 0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -230.018724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.018724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.018724 (E_RNA)
where:
Base-Base interactions energy: -149.715
where: short stacking energy: -67.997
Base-Backbone interact. energy: -0.001
local terms energy: -80.302989
where:
bonds (distance) C4'-P energy: -15.970
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: -22.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -225.411724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.411724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.411724 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -73.125
Base-Backbone interact. energy: -0.060
local terms energy: -72.581160
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -21.900
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: 3, replica: 4
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -198.809675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.809675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.809675 (E_RNA)
where:
Base-Base interactions energy: -131.166
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.092
local terms energy: -67.551305
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -18.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -178.333395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.333395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.333395 (E_RNA)
where:
Base-Base interactions energy: -117.165
where: short stacking energy: -50.627
Base-Backbone interact. energy: -0.130
local terms energy: -61.038674
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -9.431
tors. eta vs tors. theta energy: -10.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -187.868582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.868582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.868582 (E_RNA)
where:
Base-Base interactions energy: -119.275
where: short stacking energy: -62.731
Base-Backbone interact. energy: 0.760
local terms energy: -69.353792
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -18.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -144.242304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.242304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.242304 (E_RNA)
where:
Base-Base interactions energy: -82.239
where: short stacking energy: -44.888
Base-Backbone interact. energy: -0.921
local terms energy: -61.082074
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -10.839
tors. eta vs tors. theta energy: -10.108
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: 2
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -103.075555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.075555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.075555 (E_RNA)
where:
Base-Base interactions energy: -54.451
where: short stacking energy: -42.773
Base-Backbone interact. energy: -0.080
local terms energy: -48.544127
where:
bonds (distance) C4'-P energy: -11.008
bonds (distance) P-C4' energy: -11.575
flat angles C4'-P-C4' energy: -11.892
flat angles P-C4'-P energy: -7.487
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: 8, replica: 5
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -88.960100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.960100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.960100 (E_RNA)
where:
Base-Base interactions energy: -40.085
where: short stacking energy: -22.672
Base-Backbone interact. energy: -0.925
local terms energy: -47.950308
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -9.713
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: 0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -80.904613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.904613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.904613 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -24.462
Base-Backbone interact. energy: -0.321
local terms energy: -52.909090
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.214
flat angles P-C4'-P energy: -7.636
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: 6
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -69.326487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.326487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.326487 (E_RNA)
where:
Base-Base interactions energy: -17.353
where: short stacking energy: -17.353
Base-Backbone interact. energy: 0.102
local terms energy: -52.076112
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -7.186
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -239.617563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.617563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.617563 (E_RNA)
where:
Base-Base interactions energy: -157.100
where: short stacking energy: -75.823
Base-Backbone interact. energy: -0.067
local terms energy: -82.450284
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -14.644
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: 2, replica: 10
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -221.628041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.628041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.628041 (E_RNA)
where:
Base-Base interactions energy: -147.882
where: short stacking energy: -71.041
Base-Backbone interact. energy: -0.006
local terms energy: -73.740084
where:
bonds (distance) C4'-P energy: -12.154
bonds (distance) P-C4' energy: -12.485
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.897
tors. eta vs tors. theta energy: -20.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -192.674688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.674688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.674688 (E_RNA)
where:
Base-Base interactions energy: -122.912
where: short stacking energy: -62.434
Base-Backbone interact. energy: -0.001
local terms energy: -69.761815
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -8.016
tors. eta vs tors. theta energy: -18.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -180.386924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.386924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.386924 (E_RNA)
where:
Base-Base interactions energy: -114.704
where: short stacking energy: -51.740
Base-Backbone interact. energy: -0.109
local terms energy: -65.574281
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -10.217
tors. eta vs tors. theta energy: -10.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -190.880791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.880791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.880791 (E_RNA)
where:
Base-Base interactions energy: -121.789
where: short stacking energy: -62.544
Base-Backbone interact. energy: -0.077
local terms energy: -69.014422
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -11.296
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -19.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -156.227158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.227158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.227158 (E_RNA)
where:
Base-Base interactions energy: -101.235
where: short stacking energy: -56.053
Base-Backbone interact. energy: -0.610
local terms energy: -54.381647
where:
bonds (distance) C4'-P energy: -13.647
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: 0.517
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -109.939753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.939753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.939753 (E_RNA)
where:
Base-Base interactions energy: -46.786
where: short stacking energy: -38.016
Base-Backbone interact. energy: -0.458
local terms energy: -62.695305
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -11.847
tors. eta vs tors. theta energy: -9.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -82.670716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.670716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.670716 (E_RNA)
where:
Base-Base interactions energy: -34.444
where: short stacking energy: -24.577
Base-Backbone interact. energy: -0.242
local terms energy: -47.985227
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -12.517
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: 2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -87.773643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.773643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.773643 (E_RNA)
where:
Base-Base interactions energy: -34.330
where: short stacking energy: -34.330
Base-Backbone interact. energy: -0.162
local terms energy: -53.281206
where:
bonds (distance) C4'-P energy: -8.379
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.063
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -6.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -73.644674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.644674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.644674 (E_RNA)
where:
Base-Base interactions energy: -20.148
where: short stacking energy: -20.148
Base-Backbone interact. energy: -0.149
local terms energy: -53.347450
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -0.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -233.021246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.021246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.021246 (E_RNA)
where:
Base-Base interactions energy: -150.073
where: short stacking energy: -77.296
Base-Backbone interact. energy: -0.001
local terms energy: -82.947068
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -234.134631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.134631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.134631 (E_RNA)
where:
Base-Base interactions energy: -154.387
where: short stacking energy: -78.021
Base-Backbone interact. energy: -0.062
local terms energy: -79.685849
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -14.505
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -14.901
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -187.541298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.541298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.541298 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -57.693
Base-Backbone interact. energy: -0.011
local terms energy: -63.784526
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -10.169
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -15.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -190.957295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.957295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.957295 (E_RNA)
where:
Base-Base interactions energy: -117.237
where: short stacking energy: -58.388
Base-Backbone interact. energy: -0.016
local terms energy: -73.704235
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -207.881877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.881877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.881877 (E_RNA)
where:
Base-Base interactions energy: -147.492
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.337
local terms energy: -60.052269
where:
bonds (distance) C4'-P energy: -11.230
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -9.689
tors. eta vs tors. theta energy: -10.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -165.076803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.076803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.076803 (E_RNA)
where:
Base-Base interactions energy: -99.956
where: short stacking energy: -47.040
Base-Backbone interact. energy: -0.583
local terms energy: -64.538293
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -7.551
tors. eta vs tors. theta energy: -12.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -94.508983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.508983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.508983 (E_RNA)
where:
Base-Base interactions energy: -43.356
where: short stacking energy: -32.078
Base-Backbone interact. energy: -0.077
local terms energy: -51.076069
where:
bonds (distance) C4'-P energy: -12.907
bonds (distance) P-C4' energy: -11.036
flat angles C4'-P-C4' energy: -16.076
flat angles P-C4'-P energy: -3.810
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -91.765134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.765134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.765134 (E_RNA)
where:
Base-Base interactions energy: -40.988
where: short stacking energy: -30.078
Base-Backbone interact. energy: 0.448
local terms energy: -51.225996
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -10.770
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -0.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -80.448014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.448014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.448014 (E_RNA)
where:
Base-Base interactions energy: -28.485
where: short stacking energy: -23.016
Base-Backbone interact. energy: -0.552
local terms energy: -51.410804
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -85.787122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.787122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.787122 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -21.953
Base-Backbone interact. energy: -0.224
local terms energy: -43.491767
where:
bonds (distance) C4'-P energy: -8.783
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -7.976
flat angles P-C4'-P energy: -11.701
tors. eta vs tors. theta energy: 0.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -230.480328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.480328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.480328 (E_RNA)
where:
Base-Base interactions energy: -147.675
where: short stacking energy: -70.933
Base-Backbone interact. energy: -0.826
local terms energy: -81.979541
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.332
flat angles C4'-P-C4' energy: -18.689
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -22.389
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: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -224.302174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.302174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.302174 (E_RNA)
where:
Base-Base interactions energy: -155.592
where: short stacking energy: -68.983
Base-Backbone interact. energy: -0.002
local terms energy: -68.707552
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -12.088
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -12.308
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -192.263623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.263623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.263623 (E_RNA)
where:
Base-Base interactions energy: -126.526
where: short stacking energy: -62.034
Base-Backbone interact. energy: -0.003
local terms energy: -65.734403
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.244
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -14.341
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: 4
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -192.139737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.139737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.139737 (E_RNA)
where:
Base-Base interactions energy: -123.807
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.002
local terms energy: -68.331264
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -13.297
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -13.325
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: 8
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -204.414212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.414212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.414212 (E_RNA)
where:
Base-Base interactions energy: -144.229
where: short stacking energy: -42.038
Base-Backbone interact. energy: -1.028
local terms energy: -59.157546
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -9.912
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -135.516735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.516735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.516735 (E_RNA)
where:
Base-Base interactions energy: -80.886
where: short stacking energy: -38.404
Base-Backbone interact. energy: -0.231
local terms energy: -54.399574
where:
bonds (distance) C4'-P energy: -15.568
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -4.076
tors. eta vs tors. theta energy: -5.858
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: 180
Temperature: 1.200000
Total energy: -95.005699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.005699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.005699 (E_RNA)
where:
Base-Base interactions energy: -45.064
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.004
local terms energy: -49.938199
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -1.825
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: 5
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -85.809338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.809338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.809338 (E_RNA)
where:
Base-Base interactions energy: -32.571
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.067
local terms energy: -53.171133
where:
bonds (distance) C4'-P energy: -10.274
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -10.563
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -5.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -82.363088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.363088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.363088 (E_RNA)
where:
Base-Base interactions energy: -26.815
where: short stacking energy: -22.009
Base-Backbone interact. energy: 0.920
local terms energy: -56.467543
where:
bonds (distance) C4'-P energy: -14.281
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -3.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -81.485272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.485272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.485272 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -29.951
Base-Backbone interact. energy: -0.720
local terms energy: -49.496135
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.005
flat angles C4'-P-C4' energy: -8.418
flat angles P-C4'-P energy: -8.364
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -234.368183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.368183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.368183 (E_RNA)
where:
Base-Base interactions energy: -149.269
where: short stacking energy: -76.308
Base-Backbone interact. energy: -0.000
local terms energy: -85.099212
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -23.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -222.919298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.919298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.919298 (E_RNA)
where:
Base-Base interactions energy: -153.517
where: short stacking energy: -73.997
Base-Backbone interact. energy: -0.008
local terms energy: -69.394641
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -7.544
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: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -194.326247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.326247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.326247 (E_RNA)
where:
Base-Base interactions energy: -126.298
where: short stacking energy: -58.679
Base-Backbone interact. energy: -0.139
local terms energy: -67.889490
where:
bonds (distance) C4'-P energy: -15.630
bonds (distance) P-C4' energy: -11.430
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -14.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -194.518514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.518514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.518514 (E_RNA)
where:
Base-Base interactions energy: -139.487
where: short stacking energy: -54.736
Base-Backbone interact. energy: -0.280
local terms energy: -54.751607
where:
bonds (distance) C4'-P energy: -8.759
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -7.483
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: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -173.778582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.778582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.778582 (E_RNA)
where:
Base-Base interactions energy: -112.389
where: short stacking energy: -56.095
Base-Backbone interact. energy: 0.085
local terms energy: -61.473965
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -16.430
flat angles P-C4'-P energy: -9.700
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: 6, replica: 2
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -119.164294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.164294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.164294 (E_RNA)
where:
Base-Base interactions energy: -66.244
where: short stacking energy: -45.548
Base-Backbone interact. energy: -0.488
local terms energy: -52.432480
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -8.778
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: 7, replica: 9
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -133.895008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.895008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.895008 (E_RNA)
where:
Base-Base interactions energy: -78.787
where: short stacking energy: -46.478
Base-Backbone interact. energy: -0.119
local terms energy: -54.989588
where:
bonds (distance) C4'-P energy: -10.994
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -14.489
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -5.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -84.584825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.584825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.584825 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -36.154
Base-Backbone interact. energy: -0.031
local terms energy: -48.399613
where:
bonds (distance) C4'-P energy: -10.886
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -4.758
tors. eta vs tors. theta energy: -3.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -77.702491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.702491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.702491 (E_RNA)
where:
Base-Base interactions energy: -25.663
where: short stacking energy: -26.245
Base-Backbone interact. energy: -0.576
local terms energy: -51.463900
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -10.611
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -88.590005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.590005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.590005 (E_RNA)
where:
Base-Base interactions energy: -50.396
where: short stacking energy: -35.199
Base-Backbone interact. energy: -0.401
local terms energy: -37.793479
where:
bonds (distance) C4'-P energy: -6.643
bonds (distance) P-C4' energy: -7.148
flat angles C4'-P-C4' energy: -9.083
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -3.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -223.114935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.114935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.114935 (E_RNA)
where:
Base-Base interactions energy: -146.789
where: short stacking energy: -72.901
Base-Backbone interact. energy: -0.619
local terms energy: -75.707147
where:
bonds (distance) C4'-P energy: -11.996
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -21.117
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: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -217.464172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.464172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.464172 (E_RNA)
where:
Base-Base interactions energy: -143.711
where: short stacking energy: -68.577
Base-Backbone interact. energy: -0.156
local terms energy: -73.597438
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -22.619
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: 8
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -195.727120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.727120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.727120 (E_RNA)
where:
Base-Base interactions energy: -135.615
where: short stacking energy: -55.738
Base-Backbone interact. energy: -0.435
local terms energy: -59.676712
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -6.852
tors. eta vs tors. theta energy: -10.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -194.498160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.498160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.498160 (E_RNA)
where:
Base-Base interactions energy: -130.138
where: short stacking energy: -61.489
Base-Backbone interact. energy: 0.892
local terms energy: -65.251546
where:
bonds (distance) C4'-P energy: -10.361
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -12.512
flat angles P-C4'-P energy: -9.791
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: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -178.552427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.552427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.552427 (E_RNA)
where:
Base-Base interactions energy: -115.873
where: short stacking energy: -59.224
Base-Backbone interact. energy: -0.002
local terms energy: -62.677611
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -9.335
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -16.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -102.503322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.503322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.503322 (E_RNA)
where:
Base-Base interactions energy: -48.409
where: short stacking energy: -25.804
Base-Backbone interact. energy: -0.172
local terms energy: -53.922023
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -5.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -128.475963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.475963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.475963 (E_RNA)
where:
Base-Base interactions energy: -72.611
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.018
local terms energy: -55.847384
where:
bonds (distance) C4'-P energy: -13.755
bonds (distance) P-C4' energy: -12.999
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -92.461502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.461502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.461502 (E_RNA)
where:
Base-Base interactions energy: -39.160
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.004
local terms energy: -53.297091
where:
bonds (distance) C4'-P energy: -11.316
bonds (distance) P-C4' energy: -13.080
flat angles C4'-P-C4' energy: -10.907
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -9.509
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: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -87.107435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.107435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.107435 (E_RNA)
where:
Base-Base interactions energy: -32.633
where: short stacking energy: -32.376
Base-Backbone interact. energy: 0.246
local terms energy: -54.720801
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -12.708
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -7.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -77.705896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.705896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.705896 (E_RNA)
where:
Base-Base interactions energy: -26.615
where: short stacking energy: -23.063
Base-Backbone interact. energy: -0.076
local terms energy: -51.014001
where:
bonds (distance) C4'-P energy: -11.365
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -14.036
flat angles P-C4'-P energy: -9.397
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: 1, replica: 7
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -224.921346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.921346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.921346 (E_RNA)
where:
Base-Base interactions energy: -149.023
where: short stacking energy: -71.175
Base-Backbone interact. energy: -0.501
local terms energy: -75.397326
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -10.770
tors. eta vs tors. theta energy: -19.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -211.238414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.238414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.238414 (E_RNA)
where:
Base-Base interactions energy: -161.967
where: short stacking energy: -51.818
Base-Backbone interact. energy: -0.253
local terms energy: -49.018375
where:
bonds (distance) C4'-P energy: -6.763
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -7.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -218.699882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.699882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.699882 (E_RNA)
where:
Base-Base interactions energy: -149.716
where: short stacking energy: -72.136
Base-Backbone interact. energy: -0.000
local terms energy: -68.983739
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.478
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -187.199679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.199679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.199679 (E_RNA)
where:
Base-Base interactions energy: -119.198
where: short stacking energy: -61.852
Base-Backbone interact. energy: -0.010
local terms energy: -67.991562
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -12.564
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: 5, replica: 4
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -204.107021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.107021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.107021 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -70.260
Base-Backbone interact. energy: -0.004
local terms energy: -73.257013
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -8.375
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: 6, replica: 9
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -134.568322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.568322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.568322 (E_RNA)
where:
Base-Base interactions energy: -74.180
where: short stacking energy: -44.622
Base-Backbone interact. energy: -0.209
local terms energy: -60.178353
where:
bonds (distance) C4'-P energy: -13.992
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -8.227
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: 2
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -95.001388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.001388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.001388 (E_RNA)
where:
Base-Base interactions energy: -42.519
where: short stacking energy: -36.566
Base-Backbone interact. energy: -0.154
local terms energy: -52.328482
where:
bonds (distance) C4'-P energy: -11.384
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -6.299
tors. eta vs tors. theta energy: -5.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -85.962643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.962643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.962643 (E_RNA)
where:
Base-Base interactions energy: -29.460
where: short stacking energy: -29.460
Base-Backbone interact. energy: -0.512
local terms energy: -55.990972
where:
bonds (distance) C4'-P energy: -13.983
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -1.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -85.312828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.312828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.312828 (E_RNA)
where:
Base-Base interactions energy: -37.139
where: short stacking energy: -34.887
Base-Backbone interact. energy: -0.041
local terms energy: -48.132744
where:
bonds (distance) C4'-P energy: -11.879
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -4.832
tors. eta vs tors. theta energy: -7.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -89.819211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.819211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.819211 (E_RNA)
where:
Base-Base interactions energy: -44.804
where: short stacking energy: -41.538
Base-Backbone interact. energy: -0.021
local terms energy: -44.993652
where:
bonds (distance) C4'-P energy: -10.401
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -10.810
flat angles P-C4'-P energy: -3.808
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -220.011433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.011433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011433 (E_RNA)
where:
Base-Base interactions energy: -155.008
where: short stacking energy: -55.262
Base-Backbone interact. energy: -0.195
local terms energy: -64.809048
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -11.130
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -10.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -204.134361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.134361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.134361 (E_RNA)
where:
Base-Base interactions energy: -132.208
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.057
local terms energy: -71.870068
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -15.591
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -224.127577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.127577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.127577 (E_RNA)
where:
Base-Base interactions energy: -145.809
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.317
local terms energy: -78.002168
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -9.090
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: 4, replica: 1
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -189.103670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.103670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.103670 (E_RNA)
where:
Base-Base interactions energy: -122.823
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.029
local terms energy: -66.251074
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -15.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -184.050484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.050484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.050484 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.119
local terms energy: -61.757750
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -11.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -137.784778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.784778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.784778 (E_RNA)
where:
Base-Base interactions energy: -76.858
where: short stacking energy: -38.539
Base-Backbone interact. energy: -0.420
local terms energy: -60.506498
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -3.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -93.868678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.868678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.868678 (E_RNA)
where:
Base-Base interactions energy: -45.272
where: short stacking energy: -41.977
Base-Backbone interact. energy: -1.104
local terms energy: -47.492582
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -12.228
flat angles C4'-P-C4' energy: -7.223
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -6.945
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: 184
Temperature: 1.250000
Total energy: -84.350129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.350129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.350129 (E_RNA)
where:
Base-Base interactions energy: -37.514
where: short stacking energy: -37.561
Base-Backbone interact. energy: 1.352
local terms energy: -48.188129
where:
bonds (distance) C4'-P energy: -9.554
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -10.463
flat angles P-C4'-P energy: -7.584
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: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -83.848100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.848100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.848100 (E_RNA)
where:
Base-Base interactions energy: -30.246
where: short stacking energy: -20.957
Base-Backbone interact. energy: -0.028
local terms energy: -53.574752
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -2.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -77.894095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.894095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.894095 (E_RNA)
where:
Base-Base interactions energy: -30.890
where: short stacking energy: -13.393
Base-Backbone interact. energy: 1.609
local terms energy: -48.613122
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: 3.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -220.253320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.253320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.253320 (E_RNA)
where:
Base-Base interactions energy: -158.971
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.202
local terms energy: -61.080496
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -12.324
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -212.638690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.638690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.638690 (E_RNA)
where:
Base-Base interactions energy: -140.931
where: short stacking energy: -68.770
Base-Backbone interact. energy: -0.101
local terms energy: -71.607435
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -18.482
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -213.406959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.406959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.406959 (E_RNA)
where:
Base-Base interactions energy: -142.702
where: short stacking energy: -68.624
Base-Backbone interact. energy: -0.398
local terms energy: -70.307568
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -5.757
tors. eta vs tors. theta energy: -20.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -184.473962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.473962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.473962 (E_RNA)
where:
Base-Base interactions energy: -115.252
where: short stacking energy: -51.052
Base-Backbone interact. energy: -0.187
local terms energy: -69.034908
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -14.558
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -15.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -175.946674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.946674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.946674 (E_RNA)
where:
Base-Base interactions energy: -119.345
where: short stacking energy: -64.961
Base-Backbone interact. energy: -0.017
local terms energy: -56.585006
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -8.551
flat angles C4'-P-C4' energy: -10.377
flat angles P-C4'-P energy: -8.156
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -120.070133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.070133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.070133 (E_RNA)
where:
Base-Base interactions energy: -62.622
where: short stacking energy: -33.543
Base-Backbone interact. energy: -0.884
local terms energy: -56.563425
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.777
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -8.290
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: 185
Temperature: 1.200000
Total energy: -129.284161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.284161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.284161 (E_RNA)
where:
Base-Base interactions energy: -72.206
where: short stacking energy: -32.899
Base-Backbone interact. energy: -0.082
local terms energy: -56.996377
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -86.724420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724420 (E_RNA)
where:
Base-Base interactions energy: -32.431
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.070
local terms energy: -54.222919
where:
bonds (distance) C4'-P energy: -13.175
bonds (distance) P-C4' energy: -15.625
flat angles C4'-P-C4' energy: -10.745
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -3.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -81.407031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.407031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.407031 (E_RNA)
where:
Base-Base interactions energy: -32.824
where: short stacking energy: -30.633
Base-Backbone interact. energy: 0.350
local terms energy: -48.932783
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -9.351
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -91.632379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.632379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.632379 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -23.612
Base-Backbone interact. energy: -0.518
local terms energy: -51.318232
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -16.337
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: 1.402
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: 186
Temperature: 0.900000
Total energy: -209.829471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.829471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.829471 (E_RNA)
where:
Base-Base interactions energy: -134.438
where: short stacking energy: -73.921
Base-Backbone interact. energy: -0.613
local terms energy: -74.778906
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -19.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -221.083350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083350 (E_RNA)
where:
Base-Base interactions energy: -159.036
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.535
local terms energy: -61.512562
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -9.528
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -10.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -226.926003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.926003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.926003 (E_RNA)
where:
Base-Base interactions energy: -144.419
where: short stacking energy: -68.640
Base-Backbone interact. energy: 0.583
local terms energy: -83.090070
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.624
flat angles P-C4'-P energy: -13.578
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: 4, replica: 4
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -191.697528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.697528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.697528 (E_RNA)
where:
Base-Base interactions energy: -128.349
where: short stacking energy: -55.044
Base-Backbone interact. energy: -0.243
local terms energy: -63.105685
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -14.231
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -11.477
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: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -191.293972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.293972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.293972 (E_RNA)
where:
Base-Base interactions energy: -129.360
where: short stacking energy: -58.337
Base-Backbone interact. energy: -0.054
local terms energy: -61.879846
where:
bonds (distance) C4'-P energy: -12.815
bonds (distance) P-C4' energy: -12.655
flat angles C4'-P-C4' energy: -11.569
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -14.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -122.729144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.729144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.729144 (E_RNA)
where:
Base-Base interactions energy: -71.475
where: short stacking energy: -40.243
Base-Backbone interact. energy: 0.944
local terms energy: -52.197910
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -1.571
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: 9
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -144.583547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.583547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.583547 (E_RNA)
where:
Base-Base interactions energy: -80.970
where: short stacking energy: -47.595
Base-Backbone interact. energy: -0.590
local terms energy: -63.024054
where:
bonds (distance) C4'-P energy: -10.554
bonds (distance) P-C4' energy: -13.346
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -12.254
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -79.417328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.417328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.417328 (E_RNA)
where:
Base-Base interactions energy: -27.652
where: short stacking energy: -20.429
Base-Backbone interact. energy: -0.312
local terms energy: -51.453469
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -9.838
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -1.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -82.966903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.966903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.966903 (E_RNA)
where:
Base-Base interactions energy: -32.264
where: short stacking energy: -32.264
Base-Backbone interact. energy: -0.249
local terms energy: -50.453270
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -10.637
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -0.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -76.920535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.920535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.920535 (E_RNA)
where:
Base-Base interactions energy: -27.651
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.155
local terms energy: -49.114404
where:
bonds (distance) C4'-P energy: -18.101
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: 0.128
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: 7
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -227.751165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.751165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.751165 (E_RNA)
where:
Base-Base interactions energy: -152.900
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.000
local terms energy: -74.850591
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -22.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -237.212239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.212239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.212239 (E_RNA)
where:
Base-Base interactions energy: -155.751
where: short stacking energy: -78.411
Base-Backbone interact. energy: -0.001
local terms energy: -81.460970
where:
bonds (distance) C4'-P energy: -15.117
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -13.143
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: 3, replica: 8
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -216.496357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.496357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.496357 (E_RNA)
where:
Base-Base interactions energy: -154.540
where: short stacking energy: -56.217
Base-Backbone interact. energy: -0.150
local terms energy: -61.806735
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -9.581
tors. eta vs tors. theta energy: -10.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -202.262895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.262895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.262895 (E_RNA)
where:
Base-Base interactions energy: -134.661
where: short stacking energy: -63.278
Base-Backbone interact. energy: -0.122
local terms energy: -67.479678
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -12.405
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -16.735
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: 4
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -175.004839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.004839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.004839 (E_RNA)
where:
Base-Base interactions energy: -115.016
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.749
local terms energy: -59.240252
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -10.340
flat angles P-C4'-P energy: -3.936
tors. eta vs tors. theta energy: -14.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -144.643537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.643537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.643537 (E_RNA)
where:
Base-Base interactions energy: -80.297
where: short stacking energy: -38.932
Base-Backbone interact. energy: -0.033
local terms energy: -64.313328
where:
bonds (distance) C4'-P energy: -15.536
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -7.157
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: 7, replica: 5
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -106.285133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.285133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.285133 (E_RNA)
where:
Base-Base interactions energy: -47.484
where: short stacking energy: -31.595
Base-Backbone interact. energy: -1.763
local terms energy: -57.038112
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -8.039
flat angles P-C4'-P energy: -12.174
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: 8, replica: 3
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -87.944110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.944110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.944110 (E_RNA)
where:
Base-Base interactions energy: -33.143
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.081
local terms energy: -54.719406
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -10.615
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -85.883349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.883349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.883349 (E_RNA)
where:
Base-Base interactions energy: -30.488
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.451
local terms energy: -54.944883
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -13.391
tors. eta vs tors. theta energy: -0.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -74.983375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.983375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.983375 (E_RNA)
where:
Base-Base interactions energy: -44.231
where: short stacking energy: -25.870
Base-Backbone interact. energy: 0.361
local terms energy: -31.112921
where:
bonds (distance) C4'-P energy: -6.734
bonds (distance) P-C4' energy: -11.172
flat angles C4'-P-C4' energy: -7.812
flat angles P-C4'-P energy: -5.031
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: 1, replica: 7
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -234.711550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.711550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.711550 (E_RNA)
where:
Base-Base interactions energy: -152.031
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.001
local terms energy: -82.679056
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -24.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -230.020811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.020811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.020811 (E_RNA)
where:
Base-Base interactions energy: -149.322
where: short stacking energy: -74.236
Base-Backbone interact. energy: -0.000
local terms energy: -80.698395
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -214.282875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.282875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.282875 (E_RNA)
where:
Base-Base interactions energy: -154.972
where: short stacking energy: -49.334
Base-Backbone interact. energy: -0.210
local terms energy: -59.101238
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.907
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -10.898
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: 1
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -189.518550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.518550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.518550 (E_RNA)
where:
Base-Base interactions energy: -121.449
where: short stacking energy: -58.561
Base-Backbone interact. energy: -0.086
local terms energy: -67.983266
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -11.134
flat angles C4'-P-C4' energy: -12.535
flat angles P-C4'-P energy: -13.009
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: 5, replica: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -187.606412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.606412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.606412 (E_RNA)
where:
Base-Base interactions energy: -124.463
where: short stacking energy: -63.022
Base-Backbone interact. energy: -0.017
local terms energy: -63.126400
where:
bonds (distance) C4'-P energy: -17.249
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -5.249
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: 9
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -145.072456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.072456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.072456 (E_RNA)
where:
Base-Base interactions energy: -82.164
where: short stacking energy: -47.861
Base-Backbone interact. energy: -0.053
local terms energy: -62.855874
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -10.532
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: 3
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -103.904394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.904394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.904394 (E_RNA)
where:
Base-Base interactions energy: -42.200
where: short stacking energy: -32.289
Base-Backbone interact. energy: -0.284
local terms energy: -61.419678
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -10.058
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: 5
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -94.118303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.118303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.118303 (E_RNA)
where:
Base-Base interactions energy: -33.186
where: short stacking energy: -33.186
Base-Backbone interact. energy: -0.065
local terms energy: -60.866843
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -6.175
tors. eta vs tors. theta energy: -12.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -78.020216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.020216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.020216 (E_RNA)
where:
Base-Base interactions energy: -29.540
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.344
local terms energy: -48.136361
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -13.903
tors. eta vs tors. theta energy: -2.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -101.417379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.417379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.417379 (E_RNA)
where:
Base-Base interactions energy: -65.672
where: short stacking energy: -28.753
Base-Backbone interact. energy: -0.233
local terms energy: -35.512912
where:
bonds (distance) C4'-P energy: -3.424
bonds (distance) P-C4' energy: -13.876
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -1.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -234.922552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.922552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.922552 (E_RNA)
where:
Base-Base interactions energy: -154.703
where: short stacking energy: -67.542
Base-Backbone interact. energy: -0.002
local terms energy: -80.217781
where:
bonds (distance) C4'-P energy: -16.258
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -12.229
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: 2, replica: 8
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -218.035236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.035236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.035236 (E_RNA)
where:
Base-Base interactions energy: -148.346
where: short stacking energy: -61.498
Base-Backbone interact. energy: -0.337
local terms energy: -69.352754
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -13.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -217.721616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.721616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.721616 (E_RNA)
where:
Base-Base interactions energy: -141.726
where: short stacking energy: -62.174
Base-Backbone interact. energy: -0.007
local terms energy: -75.987956
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -13.071
tors. eta vs tors. theta energy: -19.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -187.535624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.535624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.535624 (E_RNA)
where:
Base-Base interactions energy: -133.578
where: short stacking energy: -56.911
Base-Backbone interact. energy: -0.207
local terms energy: -53.751117
where:
bonds (distance) C4'-P energy: -9.582
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -8.675
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: 5, replica: 1
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -183.154075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.154075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.154075 (E_RNA)
where:
Base-Base interactions energy: -117.681
where: short stacking energy: -57.138
Base-Backbone interact. energy: 2.278
local terms energy: -67.751202
where:
bonds (distance) C4'-P energy: -11.098
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -12.496
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -19.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -102.920047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.920047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.920047 (E_RNA)
where:
Base-Base interactions energy: -41.264
where: short stacking energy: -40.828
Base-Backbone interact. energy: -0.292
local terms energy: -61.363554
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -16.466
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -6.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -131.468883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.468883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.468883 (E_RNA)
where:
Base-Base interactions energy: -74.405
where: short stacking energy: -34.857
Base-Backbone interact. energy: -0.070
local terms energy: -56.993718
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -89.367041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.367041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.367041 (E_RNA)
where:
Base-Base interactions energy: -47.224
where: short stacking energy: -39.465
Base-Backbone interact. energy: -0.161
local terms energy: -41.981564
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -10.145
flat angles P-C4'-P energy: -2.034
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: 5
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -81.066175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.066175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.066175 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -36.218
Base-Backbone interact. energy: -0.122
local terms energy: -44.726510
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -12.082
flat angles C4'-P-C4' energy: -7.191
flat angles P-C4'-P energy: -8.199
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -71.715990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.715990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.715990 (E_RNA)
where:
Base-Base interactions energy: -28.175
where: short stacking energy: -27.440
Base-Backbone interact. energy: -0.141
local terms energy: -43.399927
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -9.870
flat angles C4'-P-C4' energy: -8.505
flat angles P-C4'-P energy: -6.197
tors. eta vs tors. theta energy: -4.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -232.331365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.331365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.331365 (E_RNA)
where:
Base-Base interactions energy: -157.988
where: short stacking energy: -75.772
Base-Backbone interact. energy: 0.863
local terms energy: -75.206674
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -20.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -210.834604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.834604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.834604 (E_RNA)
where:
Base-Base interactions energy: -151.345
where: short stacking energy: -54.691
Base-Backbone interact. energy: -0.131
local terms energy: -59.358515
where:
bonds (distance) C4'-P energy: -11.780
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.221
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -11.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -213.107144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.107144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.107144 (E_RNA)
where:
Base-Base interactions energy: -136.277
where: short stacking energy: -59.860
Base-Backbone interact. energy: -0.098
local terms energy: -76.731944
where:
bonds (distance) C4'-P energy: -15.515
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -19.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -182.981612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.981612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.981612 (E_RNA)
where:
Base-Base interactions energy: -119.585
where: short stacking energy: -54.785
Base-Backbone interact. energy: -0.473
local terms energy: -62.923717
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -15.871
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -12.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -180.890318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.890318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.890318 (E_RNA)
where:
Base-Base interactions energy: -117.010
where: short stacking energy: -61.705
Base-Backbone interact. energy: -0.156
local terms energy: -63.723997
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -89.998934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.998934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.998934 (E_RNA)
where:
Base-Base interactions energy: -39.470
where: short stacking energy: -29.682
Base-Backbone interact. energy: -0.356
local terms energy: -50.173537
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -4.927
tors. eta vs tors. theta energy: -1.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -79.787311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.787311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.787311 (E_RNA)
where:
Base-Base interactions energy: -29.503
where: short stacking energy: -23.365
Base-Backbone interact. energy: -0.159
local terms energy: -50.125850
where:
bonds (distance) C4'-P energy: -16.359
bonds (distance) P-C4' energy: -11.622
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -9.132
tors. eta vs tors. theta energy: -0.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -125.979266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.979266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.979266 (E_RNA)
where:
Base-Base interactions energy: -82.697
where: short stacking energy: -29.970
Base-Backbone interact. energy: -0.572
local terms energy: -42.710012
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -7.681
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -0.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -80.781369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.781369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.781369 (E_RNA)
where:
Base-Base interactions energy: -28.647
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.957
local terms energy: -51.177532
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -3.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -93.656893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.656893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.656893 (E_RNA)
where:
Base-Base interactions energy: -47.755
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.330
local terms energy: -45.572632
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.976
flat angles C4'-P-C4' energy: -10.331
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -5.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -232.774979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.774979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.774979 (E_RNA)
where:
Base-Base interactions energy: -154.701
where: short stacking energy: -71.980
Base-Backbone interact. energy: -0.063
local terms energy: -78.010751
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -16.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -206.447724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.447724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.447724 (E_RNA)
where:
Base-Base interactions energy: -146.123
where: short stacking energy: -52.683
Base-Backbone interact. energy: -0.124
local terms energy: -60.201365
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.286
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -11.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -211.007853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007853 (E_RNA)
where:
Base-Base interactions energy: -135.182
where: short stacking energy: -64.383
Base-Backbone interact. energy: -0.091
local terms energy: -75.734249
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -13.433
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -18.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -193.791361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.791361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.791361 (E_RNA)
where:
Base-Base interactions energy: -133.547
where: short stacking energy: -53.001
Base-Backbone interact. energy: -0.043
local terms energy: -60.201813
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -10.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -190.219223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.219223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.219223 (E_RNA)
where:
Base-Base interactions energy: -134.888
where: short stacking energy: -64.508
Base-Backbone interact. energy: -0.011
local terms energy: -55.320065
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -10.324
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -90.109514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.109514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.109514 (E_RNA)
where:
Base-Base interactions energy: -41.063
where: short stacking energy: -30.301
Base-Backbone interact. energy: -0.470
local terms energy: -48.576629
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -9.910
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -1.302
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: 3
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -90.153635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153635 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -37.628
Base-Backbone interact. energy: 1.021
local terms energy: -53.546655
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -9.930
tors. eta vs tors. theta energy: -5.659
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: 5
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -93.968749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.968749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.968749 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -39.606
Base-Backbone interact. energy: -0.048
local terms energy: -47.227127
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -5.703
tors. eta vs tors. theta energy: -5.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -84.473741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.473741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.473741 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -29.564
Base-Backbone interact. energy: -0.317
local terms energy: -50.947163
where:
bonds (distance) C4'-P energy: -10.431
bonds (distance) P-C4' energy: -12.583
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -2.587
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: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -76.401942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.401942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.401942 (E_RNA)
where:
Base-Base interactions energy: -24.249
where: short stacking energy: -24.192
Base-Backbone interact. energy: 1.120
local terms energy: -53.272979
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -8.242
flat angles P-C4'-P energy: -6.919
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: 8
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -220.612096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.612096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.612096 (E_RNA)
where:
Base-Base interactions energy: -161.498
where: short stacking energy: -58.306
Base-Backbone interact. energy: -0.196
local terms energy: -58.917688
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -3.358
tors. eta vs tors. theta energy: -11.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -219.536808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.536808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.536808 (E_RNA)
where:
Base-Base interactions energy: -146.564
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.002
local terms energy: -72.970198
where:
bonds (distance) C4'-P energy: -16.389
bonds (distance) P-C4' energy: -11.707
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -9.229
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -205.442376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.442376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.442376 (E_RNA)
where:
Base-Base interactions energy: -131.945
where: short stacking energy: -63.896
Base-Backbone interact. energy: -0.216
local terms energy: -73.280990
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -8.918
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: 4, replica: 10
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -218.181722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.181722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.181722 (E_RNA)
where:
Base-Base interactions energy: -144.899
where: short stacking energy: -64.267
Base-Backbone interact. energy: -0.294
local terms energy: -72.988675
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -12.460
tors. eta vs tors. theta energy: -17.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -179.436513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.436513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.436513 (E_RNA)
where:
Base-Base interactions energy: -119.437
where: short stacking energy: -46.809
Base-Backbone interact. energy: -0.007
local terms energy: -59.992858
where:
bonds (distance) C4'-P energy: -11.104
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -112.058321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.058321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.058321 (E_RNA)
where:
Base-Base interactions energy: -54.064
where: short stacking energy: -43.852
Base-Backbone interact. energy: 0.665
local terms energy: -58.659664
where:
bonds (distance) C4'-P energy: -9.721
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -13.760
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: 7, replica: 3
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -98.211644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211644 (E_RNA)
where:
Base-Base interactions energy: -42.663
where: short stacking energy: -41.758
Base-Backbone interact. energy: -0.090
local terms energy: -55.458462
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -12.055
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -6.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -80.558265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.558265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.558265 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -35.569
Base-Backbone interact. energy: -0.112
local terms energy: -44.946908
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -11.066
flat angles P-C4'-P energy: -2.135
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -77.380666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.380666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.380666 (E_RNA)
where:
Base-Base interactions energy: -34.227
where: short stacking energy: -28.769
Base-Backbone interact. energy: -0.156
local terms energy: -42.997857
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.083
flat angles P-C4'-P energy: -4.416
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -81.596969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.596969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.596969 (E_RNA)
where:
Base-Base interactions energy: -29.402
where: short stacking energy: -29.402
Base-Backbone interact. energy: -0.304
local terms energy: -51.890216
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -13.416
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.653
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: 1, replica: 8
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -220.864490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.864490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.864490 (E_RNA)
where:
Base-Base interactions energy: -150.870
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.118
local terms energy: -69.876208
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -13.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -199.891726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.891726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.891726 (E_RNA)
where:
Base-Base interactions energy: -136.990
where: short stacking energy: -54.881
Base-Backbone interact. energy: -1.195
local terms energy: -61.707437
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -13.092
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -7.339
tors. eta vs tors. theta energy: -9.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -198.019819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.019819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.019819 (E_RNA)
where:
Base-Base interactions energy: -126.344
where: short stacking energy: -57.658
Base-Backbone interact. energy: -0.010
local terms energy: -71.665802
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -194.498176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.498176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.498176 (E_RNA)
where:
Base-Base interactions energy: -126.148
where: short stacking energy: -62.559
Base-Backbone interact. energy: -0.048
local terms energy: -68.302393
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -6.420
tors. eta vs tors. theta energy: -15.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -212.808790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.808790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.808790 (E_RNA)
where:
Base-Base interactions energy: -141.478
where: short stacking energy: -73.617
Base-Backbone interact. energy: -0.088
local terms energy: -71.242781
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -8.720
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: 3
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -87.932462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.932462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.932462 (E_RNA)
where:
Base-Base interactions energy: -33.343
where: short stacking energy: -25.940
Base-Backbone interact. energy: -0.891
local terms energy: -53.698712
where:
bonds (distance) C4'-P energy: -14.708
bonds (distance) P-C4' energy: -13.818
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -7.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -96.993739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.993739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.993739 (E_RNA)
where:
Base-Base interactions energy: -40.440
where: short stacking energy: -40.440
Base-Backbone interact. energy: -0.079
local terms energy: -56.475025
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -2.654
tors. eta vs tors. theta energy: -8.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -96.954362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.954362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.954362 (E_RNA)
where:
Base-Base interactions energy: -39.035
where: short stacking energy: -38.425
Base-Backbone interact. energy: -0.177
local terms energy: -57.742089
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -14.210
flat angles C4'-P-C4' energy: -9.583
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -10.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -89.635407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.635407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.635407 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -34.848
Base-Backbone interact. energy: -0.065
local terms energy: -52.881968
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -7.563
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: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -83.930698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.930698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.930698 (E_RNA)
where:
Base-Base interactions energy: -38.913
where: short stacking energy: -37.811
Base-Backbone interact. energy: -0.593
local terms energy: -44.424382
where:
bonds (distance) C4'-P energy: -8.668
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -5.630
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -6.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -228.554429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.554429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.554429 (E_RNA)
where:
Base-Base interactions energy: -159.902
where: short stacking energy: -66.550
Base-Backbone interact. energy: -0.207
local terms energy: -68.444992
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -12.828
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -11.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -212.684177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684177 (E_RNA)
where:
Base-Base interactions energy: -150.627
where: short stacking energy: -57.456
Base-Backbone interact. energy: -0.058
local terms energy: -61.999246
where:
bonds (distance) C4'-P energy: -12.667
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -11.448
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -198.116271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.116271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.116271 (E_RNA)
where:
Base-Base interactions energy: -127.469
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.059
local terms energy: -70.588892
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -198.113140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.113140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.113140 (E_RNA)
where:
Base-Base interactions energy: -128.686
where: short stacking energy: -65.824
Base-Backbone interact. energy: -0.002
local terms energy: -69.424822
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -12.090
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -13.050
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -202.743357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.743357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.743357 (E_RNA)
where:
Base-Base interactions energy: -129.490
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.379
local terms energy: -72.874406
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -17.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -105.273280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.273280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.273280 (E_RNA)
where:
Base-Base interactions energy: -54.575
where: short stacking energy: -39.882
Base-Backbone interact. energy: -0.460
local terms energy: -50.238248
where:
bonds (distance) C4'-P energy: -8.064
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.157
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: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -110.313402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.313402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.313402 (E_RNA)
where:
Base-Base interactions energy: -47.182
where: short stacking energy: -44.518
Base-Backbone interact. energy: -0.228
local terms energy: -62.903536
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -6.747
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: 8, replica: 2
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -89.346892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.346892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.346892 (E_RNA)
where:
Base-Base interactions energy: -35.148
where: short stacking energy: -34.921
Base-Backbone interact. energy: -0.180
local terms energy: -54.019113
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.082
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -4.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -83.798576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.798576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.798576 (E_RNA)
where:
Base-Base interactions energy: -36.196
where: short stacking energy: -23.979
Base-Backbone interact. energy: -0.042
local terms energy: -47.560334
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -11.272
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -4.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -88.760723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.760723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.760723 (E_RNA)
where:
Base-Base interactions energy: -39.314
where: short stacking energy: -28.560
Base-Backbone interact. energy: 0.036
local terms energy: -49.482534
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: 0.710
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: 1, replica: 8
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -232.683275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.683275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.683275 (E_RNA)
where:
Base-Base interactions energy: -164.459
where: short stacking energy: -57.645
Base-Backbone interact. energy: -0.254
local terms energy: -67.969783
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -10.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -206.110610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.110610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.110610 (E_RNA)
where:
Base-Base interactions energy: -135.443
where: short stacking energy: -74.827
Base-Backbone interact. energy: -0.002
local terms energy: -70.665007
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -5.572
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: 3, replica: 4
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -196.046756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.046756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.046756 (E_RNA)
where:
Base-Base interactions energy: -128.385
where: short stacking energy: -49.411
Base-Backbone interact. energy: -0.273
local terms energy: -67.388596
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -13.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -215.756251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.756251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.756251 (E_RNA)
where:
Base-Base interactions energy: -143.160
where: short stacking energy: -64.439
Base-Backbone interact. energy: -0.003
local terms energy: -72.593371
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -12.572
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: 7
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -187.032394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.032394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.032394 (E_RNA)
where:
Base-Base interactions energy: -128.812
where: short stacking energy: -52.757
Base-Backbone interact. energy: -0.057
local terms energy: -58.163737
where:
bonds (distance) C4'-P energy: -7.979
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -13.115
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: 6, replica: 6
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -107.437645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.437645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.437645 (E_RNA)
where:
Base-Base interactions energy: -48.908
where: short stacking energy: -29.481
Base-Backbone interact. energy: -0.150
local terms energy: -58.380259
where:
bonds (distance) C4'-P energy: -12.986
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -8.477
tors. eta vs tors. theta energy: -4.897
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: 7, replica: 3
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -91.520264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.520264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.520264 (E_RNA)
where:
Base-Base interactions energy: -48.276
where: short stacking energy: -27.283
Base-Backbone interact. energy: -1.033
local terms energy: -42.211360
where:
bonds (distance) C4'-P energy: -8.664
bonds (distance) P-C4' energy: -10.997
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -82.924404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.924404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.924404 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -30.452
Base-Backbone interact. energy: -0.069
local terms energy: -51.692788
where:
bonds (distance) C4'-P energy: -17.345
bonds (distance) P-C4' energy: -8.590
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -3.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -92.858203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.858203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.858203 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -30.603
Base-Backbone interact. energy: 0.153
local terms energy: -59.571872
where:
bonds (distance) C4'-P energy: -11.900
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -9.690
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: 195
Temperature: 1.350000
Total energy: -89.009727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.009727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.009727 (E_RNA)
where:
Base-Base interactions energy: -35.700
where: short stacking energy: -27.158
Base-Backbone interact. energy: -0.691
local terms energy: -52.618743
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.676
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -1.624
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: 196
Temperature: 0.900000
Total energy: -231.052610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.052610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.052610 (E_RNA)
where:
Base-Base interactions energy: -163.167
where: short stacking energy: -57.748
Base-Backbone interact. energy: -0.226
local terms energy: -67.659352
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -200.524933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.524933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.524933 (E_RNA)
where:
Base-Base interactions energy: -132.002
where: short stacking energy: -60.249
Base-Backbone interact. energy: -0.003
local terms energy: -68.519419
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.540
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: 3, replica: 10
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -218.466326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.466326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.466326 (E_RNA)
where:
Base-Base interactions energy: -144.656
where: short stacking energy: -65.884
Base-Backbone interact. energy: -0.193
local terms energy: -73.617253
where:
bonds (distance) C4'-P energy: -13.518
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -12.572
flat angles P-C4'-P energy: -12.525
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: 4
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -189.447435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.447435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.447435 (E_RNA)
where:
Base-Base interactions energy: -126.834
where: short stacking energy: -62.869
Base-Backbone interact. energy: 0.330
local terms energy: -62.943477
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -15.770
flat angles P-C4'-P energy: -9.460
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -187.989807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.989807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.989807 (E_RNA)
where:
Base-Base interactions energy: -127.946
where: short stacking energy: -58.680
Base-Backbone interact. energy: -0.267
local terms energy: -59.776271
where:
bonds (distance) C4'-P energy: -11.308
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -4.233
tors. eta vs tors. theta energy: -14.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -102.352234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.352234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.352234 (E_RNA)
where:
Base-Base interactions energy: -48.765
where: short stacking energy: -36.281
Base-Backbone interact. energy: -0.270
local terms energy: -53.317497
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -12.332
flat angles C4'-P-C4' energy: -12.574
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -6.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -98.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.301703 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -44.719
Base-Backbone interact. energy: -0.121
local terms energy: -53.461300
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -10.960
flat angles C4'-P-C4' energy: -10.871
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -6.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -90.733953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.733953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.733953 (E_RNA)
where:
Base-Base interactions energy: -32.011
where: short stacking energy: -32.011
Base-Backbone interact. energy: -0.224
local terms energy: -58.499247
where:
bonds (distance) C4'-P energy: -10.456
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -5.735
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -77.101199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.101199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.101199 (E_RNA)
where:
Base-Base interactions energy: -25.777
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.137
local terms energy: -51.186900
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -13.405
flat angles C4'-P-C4' energy: -10.293
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -4.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -76.012313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.012313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.012313 (E_RNA)
where:
Base-Base interactions energy: -27.560
where: short stacking energy: -21.821
Base-Backbone interact. energy: -0.036
local terms energy: -48.416142
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -4.087
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: 1, replica: 8
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -219.559689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.559689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.559689 (E_RNA)
where:
Base-Base interactions energy: -151.384
where: short stacking energy: -55.471
Base-Backbone interact. energy: -0.147
local terms energy: -68.029050
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -11.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -233.418185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.418185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.418185 (E_RNA)
where:
Base-Base interactions energy: -156.584
where: short stacking energy: -76.868
Base-Backbone interact. energy: -0.017
local terms energy: -76.817557
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -7.908
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: 1
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -190.552415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.552415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.552415 (E_RNA)
where:
Base-Base interactions energy: -130.013
where: short stacking energy: -53.784
Base-Backbone interact. energy: -0.003
local terms energy: -60.536750
where:
bonds (distance) C4'-P energy: -7.052
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -13.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -194.500586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.500586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.500586 (E_RNA)
where:
Base-Base interactions energy: -121.024
where: short stacking energy: -65.227
Base-Backbone interact. energy: -0.029
local terms energy: -73.447405
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -15.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -192.629524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.629524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.629524 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -61.613
Base-Backbone interact. energy: -0.242
local terms energy: -67.087718
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -7.552
tors. eta vs tors. theta energy: -16.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -111.278562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.278562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.278562 (E_RNA)
where:
Base-Base interactions energy: -56.678
where: short stacking energy: -42.911
Base-Backbone interact. energy: -0.075
local terms energy: -54.525752
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -12.813
flat angles C4'-P-C4' energy: -12.110
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -94.345820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.345820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.345820 (E_RNA)
where:
Base-Base interactions energy: -38.564
where: short stacking energy: -25.510
Base-Backbone interact. energy: -1.003
local terms energy: -54.778729
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -14.905
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -12.853
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: 8, replica: 9
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -95.257486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.257486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.257486 (E_RNA)
where:
Base-Base interactions energy: -41.796
where: short stacking energy: -27.741
Base-Backbone interact. energy: -0.902
local terms energy: -52.559695
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -6.316
flat angles P-C4'-P energy: -6.976
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: 9, replica: 3
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -94.481107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.481107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.481107 (E_RNA)
where:
Base-Base interactions energy: -40.956
where: short stacking energy: -40.738
Base-Backbone interact. energy: -0.009
local terms energy: -53.516157
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.046
flat angles P-C4'-P energy: -5.943
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: 10, replica: 2
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -77.914422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.914422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.914422 (E_RNA)
where:
Base-Base interactions energy: -43.858
where: short stacking energy: -41.988
Base-Backbone interact. energy: 1.911
local terms energy: -35.967571
where:
bonds (distance) C4'-P energy: -9.433
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -11.096
flat angles P-C4'-P energy: 2.565
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: 10
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -226.451218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.451218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.451218 (E_RNA)
where:
Base-Base interactions energy: -151.246
where: short stacking energy: -63.804
Base-Backbone interact. energy: -0.209
local terms energy: -74.996039
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: -17.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -218.444051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.444051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.444051 (E_RNA)
where:
Base-Base interactions energy: -154.593
where: short stacking energy: -55.502
Base-Backbone interact. energy: -0.126
local terms energy: -63.724668
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -16.718
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -9.373
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: 4
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -192.743426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.743426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.743426 (E_RNA)
where:
Base-Base interactions energy: -126.161
where: short stacking energy: -61.854
Base-Backbone interact. energy: -0.022
local terms energy: -66.560504
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -13.020
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -10.367
tors. eta vs tors. theta energy: -18.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -189.380286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.380286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.380286 (E_RNA)
where:
Base-Base interactions energy: -119.698
where: short stacking energy: -51.956
Base-Backbone interact. energy: -0.251
local terms energy: -69.431666
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -14.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -202.172715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.172715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.172715 (E_RNA)
where:
Base-Base interactions energy: -133.394
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.087
local terms energy: -68.692077
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -13.359
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -19.003
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: 6, replica: 6
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -105.006588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.006588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.006588 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -42.563
Base-Backbone interact. energy: -0.155
local terms energy: -62.289199
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -10.356
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -12.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -96.757661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.757661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.757661 (E_RNA)
where:
Base-Base interactions energy: -47.246
where: short stacking energy: -33.621
Base-Backbone interact. energy: 2.067
local terms energy: -51.578422
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -6.604
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: 5
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -93.325579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.325579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.325579 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -32.789
Base-Backbone interact. energy: -0.053
local terms energy: -46.629345
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -5.526
tors. eta vs tors. theta energy: -6.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -75.514473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.514473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.514473 (E_RNA)
where:
Base-Base interactions energy: -23.941
where: short stacking energy: -23.941
Base-Backbone interact. energy: 0.150
local terms energy: -51.723149
where:
bonds (distance) C4'-P energy: -11.841
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -4.383
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: 3
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -82.995755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.995755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.995755 (E_RNA)
where:
Base-Base interactions energy: -26.534
where: short stacking energy: -20.332
Base-Backbone interact. energy: 0.528
local terms energy: -56.989752
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -8.346
tors. eta vs tors. theta energy: -5.168
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: 10
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -228.034413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.034413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.034413 (E_RNA)
where:
Base-Base interactions energy: -152.651
where: short stacking energy: -71.250
Base-Backbone interact. energy: -0.001
local terms energy: -75.382703
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.775
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -21.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -216.213680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.213680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213680 (E_RNA)
where:
Base-Base interactions energy: -148.296
where: short stacking energy: -56.589
Base-Backbone interact. energy: -0.199
local terms energy: -67.719169
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: -10.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -200.746898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.746898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.746898 (E_RNA)
where:
Base-Base interactions energy: -127.096
where: short stacking energy: -57.150
Base-Backbone interact. energy: -0.101
local terms energy: -73.549570
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -18.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -207.667958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.667958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.667958 (E_RNA)
where:
Base-Base interactions energy: -129.113
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.943
local terms energy: -77.612890
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -19.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -193.179511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.179511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.179511 (E_RNA)
where:
Base-Base interactions energy: -120.233
where: short stacking energy: -66.648
Base-Backbone interact. energy: -0.005
local terms energy: -72.941484
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -19.396
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: 9
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -109.996455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.996455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.996455 (E_RNA)
where:
Base-Base interactions energy: -50.543
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.028
local terms energy: -59.425868
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -5.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -90.147776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.147776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.147776 (E_RNA)
where:
Base-Base interactions energy: -34.076
where: short stacking energy: -27.180
Base-Backbone interact. energy: -0.207
local terms energy: -55.865423
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -13.568
flat angles P-C4'-P energy: -8.430
tors. eta vs tors. theta energy: -5.942
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: 199
Temperature: 1.250000
Total energy: -97.674435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.674435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.674435 (E_RNA)
where:
Base-Base interactions energy: -42.957
where: short stacking energy: -42.957
Base-Backbone interact. energy: -0.047
local terms energy: -54.670219
where:
bonds (distance) C4'-P energy: -11.267
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -6.987
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: 9, replica: 2
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -87.661764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.661764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.661764 (E_RNA)
where:
Base-Base interactions energy: -31.954
where: short stacking energy: -21.747
Base-Backbone interact. energy: -0.430
local terms energy: -55.277747
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -14.805
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -74.458927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.458927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.458927 (E_RNA)
where:
Base-Base interactions energy: -31.307
where: short stacking energy: -27.117
Base-Backbone interact. energy: -0.611
local terms energy: -42.540556
where:
bonds (distance) C4'-P energy: -5.654
bonds (distance) P-C4' energy: -10.341
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -3.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -232.238623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.238623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.238623 (E_RNA)
where:
Base-Base interactions energy: -150.505
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.375
local terms energy: -81.358116
where:
bonds (distance) C4'-P energy: -13.507
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -23.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -226.266206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.266206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.266206 (E_RNA)
where:
Base-Base interactions energy: -169.081
where: short stacking energy: -52.881
Base-Backbone interact. energy: -0.294
local terms energy: -56.891576
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -9.265
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: 7
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -219.989099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.989099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.989099 (E_RNA)
where:
Base-Base interactions energy: -145.283
where: short stacking energy: -67.958
Base-Backbone interact. energy: -0.106
local terms energy: -74.599504
where:
bonds (distance) C4'-P energy: -14.293
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.536
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: 200
Temperature: 1.050000
Total energy: -189.407945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.407945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.407945 (E_RNA)
where:
Base-Base interactions energy: -115.769
where: short stacking energy: -49.866
Base-Backbone interact. energy: -0.064
local terms energy: -73.574709
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -194.606576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.606576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.606576 (E_RNA)
where:
Base-Base interactions energy: -132.443
where: short stacking energy: -65.909
Base-Backbone interact. energy: 2.645
local terms energy: -64.808018
where:
bonds (distance) C4'-P energy: -13.925
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -15.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -107.177504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.177504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.177504 (E_RNA)
where:
Base-Base interactions energy: -51.863
where: short stacking energy: -36.698
Base-Backbone interact. energy: -0.117
local terms energy: -55.197538
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: -10.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -124.465946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.465946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.465946 (E_RNA)
where:
Base-Base interactions energy: -72.952
where: short stacking energy: -41.920
Base-Backbone interact. energy: -0.690
local terms energy: -50.823755
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -9.677
flat angles P-C4'-P energy: -6.256
tors. eta vs tors. theta energy: -7.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -98.563288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563288 (E_RNA)
where:
Base-Base interactions energy: -44.997
where: short stacking energy: -44.997
Base-Backbone interact. energy: -0.001
local terms energy: -53.565589
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -5.366
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: 9, replica: 2
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -76.844902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.844902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.844902 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -26.714
Base-Backbone interact. energy: -0.114
local terms energy: -47.474361
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: 2.795
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -69.667385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.667385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.667385 (E_RNA)
where:
Base-Base interactions energy: -24.224
where: short stacking energy: -23.972
Base-Backbone interact. energy: -0.765
local terms energy: -44.678903
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -9.582
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: 0.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -234.354369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.354369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.354369 (E_RNA)
where:
Base-Base interactions energy: -154.565
where: short stacking energy: -74.015
Base-Backbone interact. energy: -0.488
local terms energy: -79.301171
where:
bonds (distance) C4'-P energy: -13.237
bonds (distance) P-C4' energy: -12.696
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -21.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -227.659192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.659192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.659192 (E_RNA)
where:
Base-Base interactions energy: -153.981
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.060
local terms energy: -73.618380
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -12.471
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -9.281
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: 8
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -211.051076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.051076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.051076 (E_RNA)
where:
Base-Base interactions energy: -148.439
where: short stacking energy: -49.347
Base-Backbone interact. energy: -0.703
local terms energy: -61.909768
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -14.050
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -194.029233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.029233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.029233 (E_RNA)
where:
Base-Base interactions energy: -131.429
where: short stacking energy: -60.777
Base-Backbone interact. energy: -1.406
local terms energy: -61.194601
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -5.840
tors. eta vs tors. theta energy: -13.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -188.292233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.292233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.292233 (E_RNA)
where:
Base-Base interactions energy: -120.183
where: short stacking energy: -65.744
Base-Backbone interact. energy: -0.029
local terms energy: -68.079981
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -146.828245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.828245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.828245 (E_RNA)
where:
Base-Base interactions energy: -86.363
where: short stacking energy: -53.510
Base-Backbone interact. energy: -1.110
local terms energy: -59.355170
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -9.904
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: 9
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -90.937864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.937864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.937864 (E_RNA)
where:
Base-Base interactions energy: -49.094
where: short stacking energy: -21.468
Base-Backbone interact. energy: -0.441
local terms energy: -41.403519
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: 3.020
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: 2
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -79.965004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.965004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.965004 (E_RNA)
where:
Base-Base interactions energy: -24.952
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.100
local terms energy: -54.912960
where:
bonds (distance) C4'-P energy: -11.436
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -12.202
flat angles P-C4'-P energy: -10.818
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: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -90.261369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.261369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.261369 (E_RNA)
where:
Base-Base interactions energy: -32.906
where: short stacking energy: -32.906
Base-Backbone interact. energy: -0.088
local terms energy: -57.266764
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -6.824
tors. eta vs tors. theta energy: -8.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -76.345086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.345086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.345086 (E_RNA)
where:
Base-Base interactions energy: -26.555
where: short stacking energy: -23.974
Base-Backbone interact. energy: -0.111
local terms energy: -49.678735
where:
bonds (distance) C4'-P energy: -9.506
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -0.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -232.075890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.075890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.075890 (E_RNA)
where:
Base-Base interactions energy: -153.755
where: short stacking energy: -76.076
Base-Backbone interact. energy: -0.001
local terms energy: -78.320714
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -13.292
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: 7
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -232.343827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.343827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.343827 (E_RNA)
where:
Base-Base interactions energy: -152.451
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.000
local terms energy: -79.892174
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -12.636
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -198.394029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.394029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.394029 (E_RNA)
where:
Base-Base interactions energy: -129.513
where: short stacking energy: -60.223
Base-Backbone interact. energy: 0.311
local terms energy: -69.192224
where:
bonds (distance) C4'-P energy: -12.976
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -13.510
flat angles P-C4'-P energy: -10.547
tors. eta vs tors. theta energy: -15.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -202.802998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.802998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.802998 (E_RNA)
where:
Base-Base interactions energy: -142.160
where: short stacking energy: -45.224
Base-Backbone interact. energy: -0.363
local terms energy: -60.279440
where:
bonds (distance) C4'-P energy: -14.798
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -2.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -185.342703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.342703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.342703 (E_RNA)
where:
Base-Base interactions energy: -116.203
where: short stacking energy: -56.219
Base-Backbone interact. energy: -0.014
local terms energy: -69.125208
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -15.692
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: 5
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -146.596234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.596234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.596234 (E_RNA)
where:
Base-Base interactions energy: -92.658
where: short stacking energy: -35.748
Base-Backbone interact. energy: -1.319
local terms energy: -52.619338
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -10.786
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -9.965
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: 2
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -100.372802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.372802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.372802 (E_RNA)
where:
Base-Base interactions energy: -53.721
where: short stacking energy: -22.989
Base-Backbone interact. energy: -0.160
local terms energy: -46.491351
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -0.462
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: 8, replica: 9
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -81.228583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.228583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.228583 (E_RNA)
where:
Base-Base interactions energy: -26.860
where: short stacking energy: -26.860
Base-Backbone interact. energy: -0.164
local terms energy: -54.204183
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -14.476
flat angles P-C4'-P energy: -4.644
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: 9, replica: 6
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -95.588089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.588089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.588089 (E_RNA)
where:
Base-Base interactions energy: -40.824
where: short stacking energy: -36.819
Base-Backbone interact. energy: 0.333
local terms energy: -55.097501
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -9.676
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: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -76.266126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.266126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.266126 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -32.011
Base-Backbone interact. energy: 0.384
local terms energy: -42.844325
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.739
flat angles C4'-P-C4' energy: -11.689
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -4.826
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: 10
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -230.591004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.591004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.591004 (E_RNA)
where:
Base-Base interactions energy: -152.323
where: short stacking energy: -74.221
Base-Backbone interact. energy: -0.001
local terms energy: -78.267268
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -11.368
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: 7
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -226.112910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.112910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.112910 (E_RNA)
where:
Base-Base interactions energy: -155.559
where: short stacking energy: -77.412
Base-Backbone interact. energy: -0.156
local terms energy: -70.398233
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -19.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -188.990328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.990328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.990328 (E_RNA)
where:
Base-Base interactions energy: -121.235
where: short stacking energy: -58.233
Base-Backbone interact. energy: -0.004
local terms energy: -67.751483
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -6.986
tors. eta vs tors. theta energy: -13.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -193.339676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.339676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.339676 (E_RNA)
where:
Base-Base interactions energy: -124.914
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.002
local terms energy: -68.423810
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -15.907
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -18.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -205.433803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.433803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.433803 (E_RNA)
where:
Base-Base interactions energy: -139.575
where: short stacking energy: -53.924
Base-Backbone interact. energy: -0.388
local terms energy: -65.470863
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -12.914
flat angles P-C4'-P energy: -11.070
tors. eta vs tors. theta energy: -12.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -140.258679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.258679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.258679 (E_RNA)
where:
Base-Base interactions energy: -81.931
where: short stacking energy: -46.747
Base-Backbone interact. energy: -0.479
local terms energy: -57.848404
where:
bonds (distance) C4'-P energy: -9.358
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -12.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -124.651445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.651445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.651445 (E_RNA)
where:
Base-Base interactions energy: -74.110
where: short stacking energy: -41.062
Base-Backbone interact. energy: -0.126
local terms energy: -50.415275
where:
bonds (distance) C4'-P energy: -10.001
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -4.518
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: 8, replica: 6
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -82.922381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.922381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.922381 (E_RNA)
where:
Base-Base interactions energy: -31.996
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.083
local terms energy: -50.843531
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -7.756
tors. eta vs tors. theta energy: -2.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -87.276361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.276361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.276361 (E_RNA)
where:
Base-Base interactions energy: -38.785
where: short stacking energy: -35.727
Base-Backbone interact. energy: -0.070
local terms energy: -48.421326
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -5.714
tors. eta vs tors. theta energy: -4.383
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: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -71.694347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.694347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.694347 (E_RNA)
where:
Base-Base interactions energy: -26.047
where: short stacking energy: -26.047
Base-Backbone interact. energy: 0.741
local terms energy: -46.388802
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -12.269
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: 1.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -244.601157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.601157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.601157 (E_RNA)
where:
Base-Base interactions energy: -162.124
where: short stacking energy: -78.523
Base-Backbone interact. energy: -0.294
local terms energy: -82.183776
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -14.112
tors. eta vs tors. theta energy: -19.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -217.677643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.677643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.677643 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -74.671
Base-Backbone interact. energy: -0.002
local terms energy: -79.257146
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -200.683244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.683244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.683244 (E_RNA)
where:
Base-Base interactions energy: -134.902
where: short stacking energy: -65.549
Base-Backbone interact. energy: -0.111
local terms energy: -65.670606
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -13.937
flat angles P-C4'-P energy: -7.598
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: 4, replica: 1
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -197.695559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.695559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.695559 (E_RNA)
where:
Base-Base interactions energy: -125.822
where: short stacking energy: -71.322
Base-Backbone interact. energy: -0.003
local terms energy: -71.870387
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -13.748
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -13.306
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: 8
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -189.324610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.324610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.324610 (E_RNA)
where:
Base-Base interactions energy: -123.729
where: short stacking energy: -50.382
Base-Backbone interact. energy: -0.200
local terms energy: -65.395983
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -12.694
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -154.373595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.373595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.373595 (E_RNA)
where:
Base-Base interactions energy: -88.180
where: short stacking energy: -56.541
Base-Backbone interact. energy: -0.042
local terms energy: -66.151666
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -13.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -116.143470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.143470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.143470 (E_RNA)
where:
Base-Base interactions energy: -66.986
where: short stacking energy: -27.108
Base-Backbone interact. energy: 0.842
local terms energy: -49.999305
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -0.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -84.152533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.152533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.152533 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -28.604
Base-Backbone interact. energy: -0.056
local terms energy: -43.486436
where:
bonds (distance) C4'-P energy: -10.663
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -4.372
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -6.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -95.144853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.144853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.144853 (E_RNA)
where:
Base-Base interactions energy: -35.152
where: short stacking energy: -35.152
Base-Backbone interact. energy: -0.094
local terms energy: -59.898065
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -8.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -85.188232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.188232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.188232 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -34.093
Base-Backbone interact. energy: 0.630
local terms energy: -47.676565
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -5.618
tors. eta vs tors. theta energy: -3.688
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: 7
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -236.038588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.038588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.038588 (E_RNA)
where:
Base-Base interactions energy: -151.443
where: short stacking energy: -78.110
Base-Backbone interact. energy: -0.211
local terms energy: -84.384099
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -11.314
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: 2, replica: 10
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -212.057004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.057004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.057004 (E_RNA)
where:
Base-Base interactions energy: -139.783
where: short stacking energy: -70.422
Base-Backbone interact. energy: -0.262
local terms energy: -72.011899
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -20.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -199.102761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.102761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.102761 (E_RNA)
where:
Base-Base interactions energy: -127.666
where: short stacking energy: -67.634
Base-Backbone interact. energy: -0.059
local terms energy: -71.377268
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -9.238
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: 8
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -200.529233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.529233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.529233 (E_RNA)
where:
Base-Base interactions energy: -135.595
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.489
local terms energy: -64.445098
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -12.180
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -13.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -174.376778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.376778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.376778 (E_RNA)
where:
Base-Base interactions energy: -111.086
where: short stacking energy: -56.066
Base-Backbone interact. energy: -0.270
local terms energy: -63.021058
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -13.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -211.417790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.417790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.417790 (E_RNA)
where:
Base-Base interactions energy: -142.685
where: short stacking energy: -65.050
Base-Backbone interact. energy: -0.383
local terms energy: -68.349356
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.004
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -11.224
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -121.062699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.062699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.062699 (E_RNA)
where:
Base-Base interactions energy: -71.167
where: short stacking energy: -32.605
Base-Backbone interact. energy: -0.419
local terms energy: -49.477087
where:
bonds (distance) C4'-P energy: -10.405
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -6.464
tors. eta vs tors. theta energy: -5.858
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: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -81.839478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.839478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.839478 (E_RNA)
where:
Base-Base interactions energy: -37.297
where: short stacking energy: -36.206
Base-Backbone interact. energy: 1.114
local terms energy: -45.657111
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -11.927
flat angles P-C4'-P energy: -2.376
tors. eta vs tors. theta energy: -4.565
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: 3
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -78.931780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.931780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.931780 (E_RNA)
where:
Base-Base interactions energy: -32.168
where: short stacking energy: -28.809
Base-Backbone interact. energy: 1.565
local terms energy: -48.329743
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -9.136
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: 10, replica: 9
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -92.796158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.796158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.796158 (E_RNA)
where:
Base-Base interactions energy: -49.211
where: short stacking energy: -22.371
Base-Backbone interact. energy: -0.313
local terms energy: -43.271991
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -8.658
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -230.535626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.535626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.535626 (E_RNA)
where:
Base-Base interactions energy: -147.911
where: short stacking energy: -73.316
Base-Backbone interact. energy: 0.169
local terms energy: -82.793914
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -220.119191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.119191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.119191 (E_RNA)
where:
Base-Base interactions energy: -142.950
where: short stacking energy: -70.989
Base-Backbone interact. energy: -0.150
local terms energy: -77.018769
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -198.132201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.132201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.132201 (E_RNA)
where:
Base-Base interactions energy: -134.348
where: short stacking energy: -47.592
Base-Backbone interact. energy: -0.349
local terms energy: -63.436049
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -14.446
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -9.545
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: 206
Temperature: 1.050000
Total energy: -181.059679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.059679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.059679 (E_RNA)
where:
Base-Base interactions energy: -122.410
where: short stacking energy: -62.848
Base-Backbone interact. energy: -0.101
local terms energy: -58.548923
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -185.541928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.541928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.541928 (E_RNA)
where:
Base-Base interactions energy: -118.468
where: short stacking energy: -58.820
Base-Backbone interact. energy: -0.100
local terms energy: -66.974404
where:
bonds (distance) C4'-P energy: -16.459
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -16.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -177.020881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.020881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.020881 (E_RNA)
where:
Base-Base interactions energy: -114.457
where: short stacking energy: -47.695
Base-Backbone interact. energy: -0.309
local terms energy: -62.254584
where:
bonds (distance) C4'-P energy: -16.397
bonds (distance) P-C4' energy: -14.817
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -7.407
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: 206
Temperature: 1.200000
Total energy: -127.972311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.972311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.972311 (E_RNA)
where:
Base-Base interactions energy: -73.274
where: short stacking energy: -39.841
Base-Backbone interact. energy: -0.128
local terms energy: -54.570774
where:
bonds (distance) C4'-P energy: -11.341
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -8.352
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -103.624558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.624558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.624558 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -43.185
Base-Backbone interact. energy: 0.578
local terms energy: -61.017308
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -14.121
flat angles P-C4'-P energy: -8.043
tors. eta vs tors. theta energy: -13.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -90.035598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.035598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.035598 (E_RNA)
where:
Base-Base interactions energy: -34.009
where: short stacking energy: -29.862
Base-Backbone interact. energy: 1.459
local terms energy: -57.485894
where:
bonds (distance) C4'-P energy: -11.309
bonds (distance) P-C4' energy: -17.073
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -96.666588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.666588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.666588 (E_RNA)
where:
Base-Base interactions energy: -45.297
where: short stacking energy: -31.092
Base-Backbone interact. energy: -0.881
local terms energy: -50.489286
where:
bonds (distance) C4'-P energy: -8.005
bonds (distance) P-C4' energy: -13.550
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -8.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -221.200657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.200657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.200657 (E_RNA)
where:
Base-Base interactions energy: -144.652
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.047
local terms energy: -76.501506
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -22.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -215.213099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.213099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.213099 (E_RNA)
where:
Base-Base interactions energy: -152.067
where: short stacking energy: -55.782
Base-Backbone interact. energy: -0.873
local terms energy: -62.272918
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -215.839548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.839548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.839548 (E_RNA)
where:
Base-Base interactions energy: -141.814
where: short stacking energy: -74.836
Base-Backbone interact. energy: -0.097
local terms energy: -73.928128
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -12.365
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: 2
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -209.226727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.226727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.226727 (E_RNA)
where:
Base-Base interactions energy: -137.241
where: short stacking energy: -67.180
Base-Backbone interact. energy: -0.033
local terms energy: -71.952334
where:
bonds (distance) C4'-P energy: -11.179
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -15.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -189.458693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.458693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.458693 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -51.958
Base-Backbone interact. energy: -0.088
local terms energy: -64.886313
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -8.030
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -185.858426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.858426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.858426 (E_RNA)
where:
Base-Base interactions energy: -115.374
where: short stacking energy: -57.854
Base-Backbone interact. energy: -0.012
local terms energy: -70.472700
where:
bonds (distance) C4'-P energy: -14.323
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -16.372
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: 207
Temperature: 1.200000
Total energy: -92.736198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.736198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.736198 (E_RNA)
where:
Base-Base interactions energy: -41.687
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.082
local terms energy: -50.967386
where:
bonds (distance) C4'-P energy: -15.800
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -4.762
tors. eta vs tors. theta energy: -5.025
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: 9
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -97.467442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.467442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.467442 (E_RNA)
where:
Base-Base interactions energy: -43.784
where: short stacking energy: -28.461
Base-Backbone interact. energy: 0.998
local terms energy: -54.680906
where:
bonds (distance) C4'-P energy: -17.033
bonds (distance) P-C4' energy: -12.286
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -4.235
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -85.284529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.284529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.284529 (E_RNA)
where:
Base-Base interactions energy: -40.020
where: short stacking energy: -15.011
Base-Backbone interact. energy: -0.486
local terms energy: -44.778653
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -12.255
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: 0.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -75.608973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.608973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.608973 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -25.016
Base-Backbone interact. energy: -0.178
local terms energy: -47.814380
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -8.079
flat angles P-C4'-P energy: -9.212
tors. eta vs tors. theta energy: -0.780
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: 208
Temperature: 0.900000
Total energy: -217.150812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.150812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.150812 (E_RNA)
where:
Base-Base interactions energy: -151.266
where: short stacking energy: -64.000
Base-Backbone interact. energy: -0.400
local terms energy: -65.484769
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -13.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -224.458244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.458244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.458244 (E_RNA)
where:
Base-Base interactions energy: -150.152
where: short stacking energy: -72.633
Base-Backbone interact. energy: -0.026
local terms energy: -74.279361
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -20.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -218.264280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.264280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.264280 (E_RNA)
where:
Base-Base interactions energy: -141.106
where: short stacking energy: -71.994
Base-Backbone interact. energy: -0.011
local terms energy: -77.146640
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -12.878
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: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -200.272175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.272175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.272175 (E_RNA)
where:
Base-Base interactions energy: -128.560
where: short stacking energy: -65.086
Base-Backbone interact. energy: -0.066
local terms energy: -71.646133
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -187.746205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.746205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.746205 (E_RNA)
where:
Base-Base interactions energy: -121.125
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.006
local terms energy: -66.615383
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -184.600285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.600285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.600285 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -51.925
Base-Backbone interact. energy: -0.081
local terms energy: -63.258814
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -4.652
tors. eta vs tors. theta energy: -12.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -97.589067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.589067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.589067 (E_RNA)
where:
Base-Base interactions energy: -41.496
where: short stacking energy: -29.352
Base-Backbone interact. energy: -0.177
local terms energy: -55.915603
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -5.571
tors. eta vs tors. theta energy: -5.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -90.249673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.249673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.249673 (E_RNA)
where:
Base-Base interactions energy: -40.184
where: short stacking energy: -35.224
Base-Backbone interact. energy: -0.170
local terms energy: -49.895713
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: -4.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -84.701862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.701862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.701862 (E_RNA)
where:
Base-Base interactions energy: -37.118
where: short stacking energy: -19.626
Base-Backbone interact. energy: 0.852
local terms energy: -48.436233
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.068
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -0.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -78.279453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.279453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.279453 (E_RNA)
where:
Base-Base interactions energy: -24.319
where: short stacking energy: -24.419
Base-Backbone interact. energy: 1.537
local terms energy: -55.497814
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -15.669
flat angles C4'-P-C4' energy: -9.224
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -4.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -222.944970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.944970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.944970 (E_RNA)
where:
Base-Base interactions energy: -160.958
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.628
local terms energy: -61.359805
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -224.766908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.766908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.766908 (E_RNA)
where:
Base-Base interactions energy: -141.657
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.192
local terms energy: -82.918268
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -20.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -219.810722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.810722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.810722 (E_RNA)
where:
Base-Base interactions energy: -142.331
where: short stacking energy: -68.589
Base-Backbone interact. energy: -0.055
local terms energy: -77.424540
where:
bonds (distance) C4'-P energy: -13.999
bonds (distance) P-C4' energy: -11.853
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -23.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -197.505779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.505779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.505779 (E_RNA)
where:
Base-Base interactions energy: -123.529
where: short stacking energy: -57.047
Base-Backbone interact. energy: 0.190
local terms energy: -74.167370
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -17.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -186.859532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859532 (E_RNA)
where:
Base-Base interactions energy: -120.966
where: short stacking energy: -45.070
Base-Backbone interact. energy: 1.610
local terms energy: -67.503627
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -181.537733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.537733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.537733 (E_RNA)
where:
Base-Base interactions energy: -114.009
where: short stacking energy: -56.534
Base-Backbone interact. energy: -0.200
local terms energy: -67.328468
where:
bonds (distance) C4'-P energy: -17.696
bonds (distance) P-C4' energy: -14.607
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -10.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -85.624424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.624424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.624424 (E_RNA)
where:
Base-Base interactions energy: -30.773
where: short stacking energy: -28.444
Base-Backbone interact. energy: -0.150
local terms energy: -54.701026
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -13.682
flat angles C4'-P-C4' energy: -15.042
flat angles P-C4'-P energy: -8.124
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: 8, replica: 3
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -96.380986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.380986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.380986 (E_RNA)
where:
Base-Base interactions energy: -43.709
where: short stacking energy: -23.630
Base-Backbone interact. energy: 0.269
local terms energy: -52.941445
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: 1.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -78.188626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.188626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.188626 (E_RNA)
where:
Base-Base interactions energy: -33.618
where: short stacking energy: -27.069
Base-Backbone interact. energy: -0.156
local terms energy: -44.414641
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -10.454
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -1.035
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: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -80.616805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.616805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.616805 (E_RNA)
where:
Base-Base interactions energy: -29.784
where: short stacking energy: -24.541
Base-Backbone interact. energy: -0.778
local terms energy: -50.054784
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: 0.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -232.709752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.709752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.709752 (E_RNA)
where:
Base-Base interactions energy: -157.788
where: short stacking energy: -81.092
Base-Backbone interact. energy: -0.009
local terms energy: -74.912173
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -13.371
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -13.418
tors. eta vs tors. theta energy: -20.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -217.995196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.995196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.995196 (E_RNA)
where:
Base-Base interactions energy: -152.823
where: short stacking energy: -58.947
Base-Backbone interact. energy: -0.690
local terms energy: -64.481753
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -12.306
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: 210
Temperature: 1.000000
Total energy: -223.335074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.335074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.335074 (E_RNA)
where:
Base-Base interactions energy: -153.140
where: short stacking energy: -73.715
Base-Backbone interact. energy: -0.001
local terms energy: -70.194744
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -12.087
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -7.351
tors. eta vs tors. theta energy: -20.926
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: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -214.914743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.914743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.914743 (E_RNA)
where:
Base-Base interactions energy: -146.315
where: short stacking energy: -69.221
Base-Backbone interact. energy: -0.003
local terms energy: -68.596817
where:
bonds (distance) C4'-P energy: -6.728
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -14.899
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -20.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -191.553109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.553109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.553109 (E_RNA)
where:
Base-Base interactions energy: -123.925
where: short stacking energy: -58.345
Base-Backbone interact. energy: -1.491
local terms energy: -66.136581
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -11.353
flat angles P-C4'-P energy: -9.356
tors. eta vs tors. theta energy: -12.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -193.454702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.454702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.454702 (E_RNA)
where:
Base-Base interactions energy: -127.869
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.100
local terms energy: -65.485911
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -12.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -80.168018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.168018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.168018 (E_RNA)
where:
Base-Base interactions energy: -24.514
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.287
local terms energy: -55.366925
where:
bonds (distance) C4'-P energy: -14.176
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -1.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -85.037553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037553 (E_RNA)
where:
Base-Base interactions energy: -30.165
where: short stacking energy: -29.735
Base-Backbone interact. energy: -0.049
local terms energy: -54.823815
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -4.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -87.217140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.217140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.217140 (E_RNA)
where:
Base-Base interactions energy: -36.604
where: short stacking energy: -30.389
Base-Backbone interact. energy: 0.457
local terms energy: -51.069558
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -3.466
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: 10, replica: 5
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -78.374933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.374933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.374933 (E_RNA)
where:
Base-Base interactions energy: -32.285
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.113
local terms energy: -45.976416
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -7.981
flat angles C4'-P-C4' energy: -9.708
flat angles P-C4'-P energy: -3.014
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -240.512336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.512336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.512336 (E_RNA)
where:
Base-Base interactions energy: -156.042
where: short stacking energy: -77.741
Base-Backbone interact. energy: -0.180
local terms energy: -84.290054
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -16.501
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -22.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -230.825870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.825870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.825870 (E_RNA)
where:
Base-Base interactions energy: -154.370
where: short stacking energy: -74.604
Base-Backbone interact. energy: -0.584
local terms energy: -75.872165
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -21.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -212.357936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.357936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.357936 (E_RNA)
where:
Base-Base interactions energy: -150.023
where: short stacking energy: -62.148
Base-Backbone interact. energy: 0.818
local terms energy: -63.153376
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -14.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -218.859591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.859591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.859591 (E_RNA)
where:
Base-Base interactions energy: -141.185
where: short stacking energy: -71.187
Base-Backbone interact. energy: -0.022
local terms energy: -77.651828
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -18.626
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: 4
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -187.934569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.934569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.934569 (E_RNA)
where:
Base-Base interactions energy: -121.022
where: short stacking energy: -61.551
Base-Backbone interact. energy: -0.132
local terms energy: -66.780792
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.304
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: 6, replica: 1
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -186.320187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.320187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.320187 (E_RNA)
where:
Base-Base interactions energy: -126.347
where: short stacking energy: -51.654
Base-Backbone interact. energy: 0.271
local terms energy: -60.243433
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -12.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -90.612119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.612119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.612119 (E_RNA)
where:
Base-Base interactions energy: -38.326
where: short stacking energy: -35.602
Base-Backbone interact. energy: -0.317
local terms energy: -51.969419
where:
bonds (distance) C4'-P energy: -8.692
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.450
flat angles P-C4'-P energy: -4.150
tors. eta vs tors. theta energy: -9.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -91.697256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.697256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.697256 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -30.530
Base-Backbone interact. energy: -0.161
local terms energy: -52.571997
where:
bonds (distance) C4'-P energy: -10.871
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -13.399
flat angles P-C4'-P energy: -6.873
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: 9, replica: 6
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -79.410727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.410727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.410727 (E_RNA)
where:
Base-Base interactions energy: -28.577
where: short stacking energy: -25.661
Base-Backbone interact. energy: -0.327
local terms energy: -50.506902
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -5.619
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: 10, replica: 5
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -81.896597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.896597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.896597 (E_RNA)
where:
Base-Base interactions energy: -30.336
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.100
local terms energy: -51.460982
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -12.318
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -9.025
tors. eta vs tors. theta energy: -4.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -230.773000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.773000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.773000 (E_RNA)
where:
Base-Base interactions energy: -150.083
where: short stacking energy: -71.932
Base-Backbone interact. energy: -0.175
local terms energy: -80.514949
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -21.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -215.487825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.487825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.487825 (E_RNA)
where:
Base-Base interactions energy: -142.287
where: short stacking energy: -59.951
Base-Backbone interact. energy: -0.148
local terms energy: -73.052885
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: -22.377
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: 3, replica: 10
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -227.157027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.157027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.157027 (E_RNA)
where:
Base-Base interactions energy: -150.564
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.004
local terms energy: -76.589796
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -203.800648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.800648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.800648 (E_RNA)
where:
Base-Base interactions energy: -130.781
where: short stacking energy: -48.275
Base-Backbone interact. energy: -1.013
local terms energy: -72.006271
where:
bonds (distance) C4'-P energy: -15.470
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.661
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -13.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -195.370664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.370664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.370664 (E_RNA)
where:
Base-Base interactions energy: -130.934
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.038
local terms energy: -64.398966
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -13.367
flat angles P-C4'-P energy: -7.081
tors. eta vs tors. theta energy: -13.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -171.515972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.515972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.515972 (E_RNA)
where:
Base-Base interactions energy: -108.831
where: short stacking energy: -47.490
Base-Backbone interact. energy: -0.011
local terms energy: -62.673293
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -9.470
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: 9
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -110.642375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.642375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.642375 (E_RNA)
where:
Base-Base interactions energy: -51.427
where: short stacking energy: -47.241
Base-Backbone interact. energy: -0.026
local terms energy: -59.188621
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -11.491
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -12.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -94.380984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.380984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.380984 (E_RNA)
where:
Base-Base interactions energy: -45.766
where: short stacking energy: -16.250
Base-Backbone interact. energy: -1.068
local terms energy: -47.547186
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -2.364
tors. eta vs tors. theta energy: -1.771
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: 9, replica: 5
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -82.312273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.312273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.312273 (E_RNA)
where:
Base-Base interactions energy: -27.577
where: short stacking energy: -18.858
Base-Backbone interact. energy: -0.353
local terms energy: -54.382857
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -4.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -81.682789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.682789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.682789 (E_RNA)
where:
Base-Base interactions energy: -27.875
where: short stacking energy: -17.225
Base-Backbone interact. energy: -0.102
local terms energy: -53.706453
where:
bonds (distance) C4'-P energy: -13.342
bonds (distance) P-C4' energy: -10.802
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -11.387
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: 1, replica: 7
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -232.916624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.916624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.916624 (E_RNA)
where:
Base-Base interactions energy: -159.255
where: short stacking energy: -72.168
Base-Backbone interact. energy: -0.240
local terms energy: -73.422007
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -8.706
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -227.518118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.518118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.518118 (E_RNA)
where:
Base-Base interactions energy: -151.409
where: short stacking energy: -71.868
Base-Backbone interact. energy: -0.217
local terms energy: -75.891995
where:
bonds (distance) C4'-P energy: -13.838
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -227.735040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.735040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.735040 (E_RNA)
where:
Base-Base interactions energy: -149.673
where: short stacking energy: -70.121
Base-Backbone interact. energy: -0.077
local terms energy: -77.984752
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -7.302
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -197.088424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.088424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.088424 (E_RNA)
where:
Base-Base interactions energy: -130.555
where: short stacking energy: -62.771
Base-Backbone interact. energy: -0.101
local terms energy: -66.433256
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -199.152946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.152946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.152946 (E_RNA)
where:
Base-Base interactions energy: -137.983
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.118
local terms energy: -61.052582
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.389
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -181.046940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.046940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.046940 (E_RNA)
where:
Base-Base interactions energy: -125.526
where: short stacking energy: -46.660
Base-Backbone interact. energy: -0.269
local terms energy: -55.252152
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -10.990
flat angles C4'-P-C4' energy: -11.511
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -10.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -90.173034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.173034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.173034 (E_RNA)
where:
Base-Base interactions energy: -36.347
where: short stacking energy: -27.871
Base-Backbone interact. energy: -0.406
local terms energy: -53.419775
where:
bonds (distance) C4'-P energy: -9.495
bonds (distance) P-C4' energy: -12.455
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -12.454
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: 8, replica: 5
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -83.478721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.478721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.478721 (E_RNA)
where:
Base-Base interactions energy: -31.273
where: short stacking energy: -25.689
Base-Backbone interact. energy: -0.207
local terms energy: -51.998650
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -4.890
tors. eta vs tors. theta energy: -2.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -74.388352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.388352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.388352 (E_RNA)
where:
Base-Base interactions energy: -25.104
where: short stacking energy: -21.222
Base-Backbone interact. energy: 0.220
local terms energy: -49.503913
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -11.260
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -1.916
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: 6
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -84.752915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.752915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.752915 (E_RNA)
where:
Base-Base interactions energy: -27.279
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.093
local terms energy: -57.380940
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -7.025
tors. eta vs tors. theta energy: -6.594
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: 7
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -236.494725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.494725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.494725 (E_RNA)
where:
Base-Base interactions energy: -155.764
where: short stacking energy: -81.754
Base-Backbone interact. energy: -0.001
local terms energy: -80.729579
where:
bonds (distance) C4'-P energy: -15.407
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -230.495050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.495050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.495050 (E_RNA)
where:
Base-Base interactions energy: -147.091
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.003
local terms energy: -83.401150
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -14.482
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -204.075379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.075379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.075379 (E_RNA)
where:
Base-Base interactions energy: -128.242
where: short stacking energy: -64.925
Base-Backbone interact. energy: -0.884
local terms energy: -74.949494
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -15.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -218.432361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.432361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.432361 (E_RNA)
where:
Base-Base interactions energy: -141.029
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.006
local terms energy: -77.397329
where:
bonds (distance) C4'-P energy: -16.111
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -176.263972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.263972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.263972 (E_RNA)
where:
Base-Base interactions energy: -113.834
where: short stacking energy: -45.475
Base-Backbone interact. energy: 0.627
local terms energy: -63.056984
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -7.907
tors. eta vs tors. theta energy: -10.305
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: 6, replica: 8
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -193.646407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.646407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.646407 (E_RNA)
where:
Base-Base interactions energy: -132.680
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.566
local terms energy: -60.400062
where:
bonds (distance) C4'-P energy: -10.993
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -12.248
tors. eta vs tors. theta energy: -9.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -92.834080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.834080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.834080 (E_RNA)
where:
Base-Base interactions energy: -33.877
where: short stacking energy: -33.877
Base-Backbone interact. energy: -0.182
local terms energy: -58.774540
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -13.951
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -9.499
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: 8, replica: 9
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -97.633366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.633366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.633366 (E_RNA)
where:
Base-Base interactions energy: -50.065
where: short stacking energy: -28.463
Base-Backbone interact. energy: -0.194
local terms energy: -47.374475
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -4.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -77.822861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.822861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.822861 (E_RNA)
where:
Base-Base interactions energy: -33.271
where: short stacking energy: -33.271
Base-Backbone interact. energy: -0.127
local terms energy: -44.424720
where:
bonds (distance) C4'-P energy: -10.207
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -4.449
tors. eta vs tors. theta energy: -3.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -73.003988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.003988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.003988 (E_RNA)
where:
Base-Base interactions energy: -25.245
where: short stacking energy: -25.245
Base-Backbone interact. energy: -0.164
local terms energy: -47.595242
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.165
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -2.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -226.743337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.743337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.743337 (E_RNA)
where:
Base-Base interactions energy: -150.304
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.213
local terms energy: -76.226541
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -10.472
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: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -223.950392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.950392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.950392 (E_RNA)
where:
Base-Base interactions energy: -142.519
where: short stacking energy: -68.420
Base-Backbone interact. energy: -0.046
local terms energy: -81.385288
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -18.092
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -12.809
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: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -201.649723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.649723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.649723 (E_RNA)
where:
Base-Base interactions energy: -120.941
where: short stacking energy: -65.125
Base-Backbone interact. energy: -0.087
local terms energy: -80.622476
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -20.474
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: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -192.800447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.800447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.800447 (E_RNA)
where:
Base-Base interactions energy: -127.077
where: short stacking energy: -52.344
Base-Backbone interact. energy: -0.266
local terms energy: -65.457850
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -15.939
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -8.657
tors. eta vs tors. theta energy: -11.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -209.038445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.038445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.038445 (E_RNA)
where:
Base-Base interactions energy: -137.569
where: short stacking energy: -70.158
Base-Backbone interact. energy: 0.484
local terms energy: -71.953435
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -19.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -179.362346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.362346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.362346 (E_RNA)
where:
Base-Base interactions energy: -125.679
where: short stacking energy: -43.153
Base-Backbone interact. energy: -0.931
local terms energy: -52.752193
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -10.336
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -6.430
tors. eta vs tors. theta energy: -9.526
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: 5
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -97.134055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.134055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.134055 (E_RNA)
where:
Base-Base interactions energy: -40.554
where: short stacking energy: -35.157
Base-Backbone interact. energy: 1.168
local terms energy: -57.748538
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -9.602
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -6.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -107.239474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.239474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.239474 (E_RNA)
where:
Base-Base interactions energy: -59.063
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.238
local terms energy: -47.937837
where:
bonds (distance) C4'-P energy: -5.570
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -8.911
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: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -83.459443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.459443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.459443 (E_RNA)
where:
Base-Base interactions energy: -35.971
where: short stacking energy: -23.890
Base-Backbone interact. energy: -1.305
local terms energy: -46.183726
where:
bonds (distance) C4'-P energy: -10.322
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -11.019
flat angles P-C4'-P energy: -5.607
tors. eta vs tors. theta energy: -3.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -74.495456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.495456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.495456 (E_RNA)
where:
Base-Base interactions energy: -28.776
where: short stacking energy: -28.645
Base-Backbone interact. energy: -0.744
local terms energy: -44.975725
where:
bonds (distance) C4'-P energy: -10.468
bonds (distance) P-C4' energy: -10.355
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -227.278923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.278923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.278923 (E_RNA)
where:
Base-Base interactions energy: -150.397
where: short stacking energy: -73.775
Base-Backbone interact. energy: 0.835
local terms energy: -77.716730
where:
bonds (distance) C4'-P energy: -16.847
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -9.483
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: 7
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -228.241014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.241014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.241014 (E_RNA)
where:
Base-Base interactions energy: -150.083
where: short stacking energy: -70.879
Base-Backbone interact. energy: -0.017
local terms energy: -78.141176
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -11.215
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: 3, replica: 1
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -204.658818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.658818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.658818 (E_RNA)
where:
Base-Base interactions energy: -145.774
where: short stacking energy: -43.877
Base-Backbone interact. energy: -0.113
local terms energy: -58.772371
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -9.093
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: 4, replica: 4
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -192.876219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876219 (E_RNA)
where:
Base-Base interactions energy: -123.988
where: short stacking energy: -61.535
Base-Backbone interact. energy: -0.058
local terms energy: -68.829983
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -16.568
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -14.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -217.236122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236122 (E_RNA)
where:
Base-Base interactions energy: -145.215
where: short stacking energy: -69.036
Base-Backbone interact. energy: -0.050
local terms energy: -71.971317
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -13.048
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -19.396
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: 216
Temperature: 1.150000
Total energy: -177.946785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.946785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.946785 (E_RNA)
where:
Base-Base interactions energy: -116.911
where: short stacking energy: -50.189
Base-Backbone interact. energy: -0.019
local terms energy: -61.016397
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -13.973
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -11.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -99.155395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.155395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.155395 (E_RNA)
where:
Base-Base interactions energy: -54.318
where: short stacking energy: -22.990
Base-Backbone interact. energy: 1.285
local terms energy: -46.122320
where:
bonds (distance) C4'-P energy: -12.629
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -12.685
flat angles P-C4'-P energy: -6.231
tors. eta vs tors. theta energy: 1.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -83.968694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.968694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.968694 (E_RNA)
where:
Base-Base interactions energy: -28.126
where: short stacking energy: -26.717
Base-Backbone interact. energy: 0.197
local terms energy: -56.039456
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.426
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -1.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -79.295401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.295401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.295401 (E_RNA)
where:
Base-Base interactions energy: -27.977
where: short stacking energy: -27.916
Base-Backbone interact. energy: -0.372
local terms energy: -50.946478
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.413
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: 1.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -76.282746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.282746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.282746 (E_RNA)
where:
Base-Base interactions energy: -41.659
where: short stacking energy: -18.615
Base-Backbone interact. energy: -0.431
local terms energy: -34.192745
where:
bonds (distance) C4'-P energy: -9.427
bonds (distance) P-C4' energy: -14.010
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -6.834
tors. eta vs tors. theta energy: 3.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -232.485718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.485718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.485718 (E_RNA)
where:
Base-Base interactions energy: -155.891
where: short stacking energy: -75.226
Base-Backbone interact. energy: -0.006
local terms energy: -76.588519
where:
bonds (distance) C4'-P energy: -11.577
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.537
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: 7
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -222.683654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.683654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.683654 (E_RNA)
where:
Base-Base interactions energy: -143.192
where: short stacking energy: -76.507
Base-Backbone interact. energy: -0.053
local terms energy: -79.439447
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -209.985614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.985614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.985614 (E_RNA)
where:
Base-Base interactions energy: -143.902
where: short stacking energy: -47.354
Base-Backbone interact. energy: -0.649
local terms energy: -65.435030
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -9.414
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: 2
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -217.678587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.678587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.678587 (E_RNA)
where:
Base-Base interactions energy: -143.878
where: short stacking energy: -69.708
Base-Backbone interact. energy: -0.123
local terms energy: -73.677793
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -15.719
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -22.707
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: 4
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -171.034343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.034343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.034343 (E_RNA)
where:
Base-Base interactions energy: -103.934
where: short stacking energy: -53.082
Base-Backbone interact. energy: -0.526
local terms energy: -66.574921
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -9.691
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: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -122.694811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.694811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.694811 (E_RNA)
where:
Base-Base interactions energy: -64.680
where: short stacking energy: -36.860
Base-Backbone interact. energy: -0.171
local terms energy: -57.844134
where:
bonds (distance) C4'-P energy: -12.623
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -131.851837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.851837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.851837 (E_RNA)
where:
Base-Base interactions energy: -79.746
where: short stacking energy: -34.652
Base-Backbone interact. energy: 0.024
local terms energy: -52.129759
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -12.945
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -2.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -85.698184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.698184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.698184 (E_RNA)
where:
Base-Base interactions energy: -22.633
where: short stacking energy: -23.288
Base-Backbone interact. energy: -0.077
local terms energy: -62.988738
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -5.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -88.641892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.641892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.641892 (E_RNA)
where:
Base-Base interactions energy: -44.529
where: short stacking energy: -30.499
Base-Backbone interact. energy: -0.751
local terms energy: -43.361947
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -7.455
flat angles P-C4'-P energy: -6.669
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -82.759642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.759642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.759642 (E_RNA)
where:
Base-Base interactions energy: -31.398
where: short stacking energy: -11.322
Base-Backbone interact. energy: -0.476
local terms energy: -50.886200
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -10.606
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -0.671
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: 7
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -216.767014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.767014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.767014 (E_RNA)
where:
Base-Base interactions energy: -145.589
where: short stacking energy: -70.325
Base-Backbone interact. energy: 0.390
local terms energy: -71.568599
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -12.759
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: 2, replica: 10
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -237.949262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.949262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.949262 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.190
local terms energy: -84.886066
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -21.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -214.658365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.658365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.658365 (E_RNA)
where:
Base-Base interactions energy: -143.890
where: short stacking energy: -58.032
Base-Backbone interact. energy: -0.024
local terms energy: -70.743887
where:
bonds (distance) C4'-P energy: -16.632
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -15.608
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -14.100
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: 2
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -215.844098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.844098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.844098 (E_RNA)
where:
Base-Base interactions energy: -146.085
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.185
local terms energy: -69.574221
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.601
flat angles P-C4'-P energy: -5.763
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: 5, replica: 4
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -172.347024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.347024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.347024 (E_RNA)
where:
Base-Base interactions energy: -111.994
where: short stacking energy: -50.889
Base-Backbone interact. energy: -0.019
local terms energy: -60.333859
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -11.940
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -11.102
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -174.663510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.663510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.663510 (E_RNA)
where:
Base-Base interactions energy: -111.126
where: short stacking energy: -57.758
Base-Backbone interact. energy: -0.019
local terms energy: -63.518044
where:
bonds (distance) C4'-P energy: -13.833
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -4.999
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: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -102.513095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.513095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.513095 (E_RNA)
where:
Base-Base interactions energy: -43.549
where: short stacking energy: -43.549
Base-Backbone interact. energy: -0.024
local terms energy: -58.940240
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -7.452
tors. eta vs tors. theta energy: -9.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -82.573555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573555 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -26.753
Base-Backbone interact. energy: -0.160
local terms energy: -49.369571
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -8.860
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: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -86.052693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.052693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.052693 (E_RNA)
where:
Base-Base interactions energy: -39.709
where: short stacking energy: -19.554
Base-Backbone interact. energy: -0.153
local terms energy: -46.190257
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: 1.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -87.613458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.613458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.613458 (E_RNA)
where:
Base-Base interactions energy: -34.196
where: short stacking energy: -28.995
Base-Backbone interact. energy: -0.004
local terms energy: -53.413228
where:
bonds (distance) C4'-P energy: -11.635
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -2.839
tors. eta vs tors. theta energy: -6.086
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: 7
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -229.419462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.419462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.419462 (E_RNA)
where:
Base-Base interactions energy: -148.377
where: short stacking energy: -67.652
Base-Backbone interact. energy: -0.125
local terms energy: -80.917399
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -13.899
tors. eta vs tors. theta energy: -21.851
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: 10
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -227.963819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.963819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.963819 (E_RNA)
where:
Base-Base interactions energy: -152.125
where: short stacking energy: -75.908
Base-Backbone interact. energy: -0.017
local terms energy: -75.821349
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -18.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -216.138918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.138918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.138918 (E_RNA)
where:
Base-Base interactions energy: -151.440
where: short stacking energy: -57.497
Base-Backbone interact. energy: -0.118
local terms energy: -64.580733
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -11.373
flat angles C4'-P-C4' energy: -19.009
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: -10.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -213.903607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.903607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.903607 (E_RNA)
where:
Base-Base interactions energy: -139.107
where: short stacking energy: -65.656
Base-Backbone interact. energy: -0.005
local terms energy: -74.791315
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.530
flat angles P-C4'-P energy: -11.068
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: 5, replica: 4
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -180.531521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.531521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.531521 (E_RNA)
where:
Base-Base interactions energy: -112.492
where: short stacking energy: -60.540
Base-Backbone interact. energy: -0.002
local terms energy: -68.038134
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -177.494887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.494887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.494887 (E_RNA)
where:
Base-Base interactions energy: -109.978
where: short stacking energy: -53.958
Base-Backbone interact. energy: -0.016
local terms energy: -67.501234
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -13.775
flat angles P-C4'-P energy: -7.949
tors. eta vs tors. theta energy: -17.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -87.886113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.886113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.886113 (E_RNA)
where:
Base-Base interactions energy: -32.527
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.008
local terms energy: -55.351297
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -8.675
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -8.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -89.950770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.950770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.950770 (E_RNA)
where:
Base-Base interactions energy: -40.633
where: short stacking energy: -27.366
Base-Backbone interact. energy: -0.522
local terms energy: -48.795735
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -10.136
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -2.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -93.333356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.333356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.333356 (E_RNA)
where:
Base-Base interactions energy: -38.173
where: short stacking energy: -35.998
Base-Backbone interact. energy: -0.004
local terms energy: -55.156670
where:
bonds (distance) C4'-P energy: -8.459
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -11.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -78.818288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.818288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.818288 (E_RNA)
where:
Base-Base interactions energy: -27.135
where: short stacking energy: -28.399
Base-Backbone interact. energy: -0.759
local terms energy: -50.924320
where:
bonds (distance) C4'-P energy: -9.931
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -12.525
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -6.797
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: 220
Temperature: 0.900000
Total energy: -229.840685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.840685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.840685 (E_RNA)
where:
Base-Base interactions energy: -153.182
where: short stacking energy: -76.247
Base-Backbone interact. energy: -0.010
local terms energy: -76.648115
where:
bonds (distance) C4'-P energy: -10.134
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -225.654009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.654009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.654009 (E_RNA)
where:
Base-Base interactions energy: -140.050
where: short stacking energy: -64.935
Base-Backbone interact. energy: -0.028
local terms energy: -85.576063
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.921
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -217.319062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.319062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.319062 (E_RNA)
where:
Base-Base interactions energy: -139.510
where: short stacking energy: -68.134
Base-Backbone interact. energy: -0.092
local terms energy: -77.717389
where:
bonds (distance) C4'-P energy: -16.893
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.779
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: 4, replica: 1
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -201.616130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.616130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.616130 (E_RNA)
where:
Base-Base interactions energy: -149.848
where: short stacking energy: -54.297
Base-Backbone interact. energy: -0.296
local terms energy: -51.472705
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -8.005
flat angles C4'-P-C4' energy: -12.297
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -8.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -173.300192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.300192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.300192 (E_RNA)
where:
Base-Base interactions energy: -102.322
where: short stacking energy: -52.325
Base-Backbone interact. energy: -0.256
local terms energy: -70.721975
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -15.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -180.412850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.412850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.412850 (E_RNA)
where:
Base-Base interactions energy: -116.361
where: short stacking energy: -46.004
Base-Backbone interact. energy: -0.354
local terms energy: -63.698059
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -7.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -113.954011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.954011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.954011 (E_RNA)
where:
Base-Base interactions energy: -60.425
where: short stacking energy: -45.455
Base-Backbone interact. energy: 0.297
local terms energy: -53.826240
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -2.745
tors. eta vs tors. theta energy: -9.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -92.626232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.626232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.626232 (E_RNA)
where:
Base-Base interactions energy: -41.849
where: short stacking energy: -42.649
Base-Backbone interact. energy: -0.006
local terms energy: -50.770977
where:
bonds (distance) C4'-P energy: -8.418
bonds (distance) P-C4' energy: -9.190
flat angles C4'-P-C4' energy: -10.449
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -11.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -91.835011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835011 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -29.076
Base-Backbone interact. energy: -0.064
local terms energy: -49.016830
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -11.749
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -4.152
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: 10, replica: 8
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -88.755552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755552 (E_RNA)
where:
Base-Base interactions energy: -47.055
where: short stacking energy: -20.559
Base-Backbone interact. energy: -0.038
local terms energy: -41.662527
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -6.875
flat angles P-C4'-P energy: -8.190
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: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -226.655500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.655500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.655500 (E_RNA)
where:
Base-Base interactions energy: -150.183
where: short stacking energy: -70.469
Base-Backbone interact. energy: -0.050
local terms energy: -76.422381
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -22.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -220.998779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.998779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.998779 (E_RNA)
where:
Base-Base interactions energy: -144.188
where: short stacking energy: -66.982
Base-Backbone interact. energy: -0.000
local terms energy: -76.810174
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -18.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -219.006115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.006115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.006115 (E_RNA)
where:
Base-Base interactions energy: -145.116
where: short stacking energy: -65.470
Base-Backbone interact. energy: -0.108
local terms energy: -73.782331
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -14.787
flat angles P-C4'-P energy: -11.560
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: 4, replica: 1
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -198.008405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.008405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.008405 (E_RNA)
where:
Base-Base interactions energy: -128.704
where: short stacking energy: -55.902
Base-Backbone interact. energy: -0.104
local terms energy: -69.201020
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -14.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -192.063634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.063634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.063634 (E_RNA)
where:
Base-Base interactions energy: -125.675
where: short stacking energy: -48.253
Base-Backbone interact. energy: -0.240
local terms energy: -66.148924
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -14.498
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -12.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -181.984391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.984391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.984391 (E_RNA)
where:
Base-Base interactions energy: -116.722
where: short stacking energy: -55.636
Base-Backbone interact. energy: -0.113
local terms energy: -65.148906
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -13.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -129.038417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.038417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.038417 (E_RNA)
where:
Base-Base interactions energy: -74.043
where: short stacking energy: -33.075
Base-Backbone interact. energy: -0.332
local terms energy: -54.663529
where:
bonds (distance) C4'-P energy: -14.218
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -5.760
tors. eta vs tors. theta energy: -4.365
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: 5
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -79.413834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.413834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.413834 (E_RNA)
where:
Base-Base interactions energy: -22.680
where: short stacking energy: -22.213
Base-Backbone interact. energy: -0.369
local terms energy: -56.365313
where:
bonds (distance) C4'-P energy: -16.056
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -9.682
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: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -87.263348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.263348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.263348 (E_RNA)
where:
Base-Base interactions energy: -34.729
where: short stacking energy: -32.699
Base-Backbone interact. energy: -0.353
local terms energy: -52.181083
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -12.979
flat angles P-C4'-P energy: -3.414
tors. eta vs tors. theta energy: -4.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -80.723980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.723980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.723980 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -31.533
Base-Backbone interact. energy: -0.126
local terms energy: -42.429311
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -8.967
flat angles P-C4'-P energy: -5.966
tors. eta vs tors. theta energy: -1.639
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: 7
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -218.741679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.741679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.741679 (E_RNA)
where:
Base-Base interactions energy: -144.647
where: short stacking energy: -68.119
Base-Backbone interact. energy: 0.281
local terms energy: -74.375207
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.833
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -11.187
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -220.337353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337353 (E_RNA)
where:
Base-Base interactions energy: -145.259
where: short stacking energy: -71.327
Base-Backbone interact. energy: -0.107
local terms energy: -74.971206
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -5.867
tors. eta vs tors. theta energy: -17.159
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: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -211.705854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.705854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.705854 (E_RNA)
where:
Base-Base interactions energy: -139.064
where: short stacking energy: -69.898
Base-Backbone interact. energy: -0.013
local terms energy: -72.628844
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -6.948
flat angles P-C4'-P energy: -12.889
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: 4, replica: 1
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -199.597598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.597598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.597598 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -61.151
Base-Backbone interact. energy: -0.103
local terms energy: -57.562558
where:
bonds (distance) C4'-P energy: -5.753
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.626
flat angles P-C4'-P energy: -6.041
tors. eta vs tors. theta energy: -13.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -190.633304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.633304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633304 (E_RNA)
where:
Base-Base interactions energy: -130.362
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.082
local terms energy: -60.189302
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -13.338
flat angles C4'-P-C4' energy: -15.250
flat angles P-C4'-P energy: -2.918
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -166.364096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.364096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.364096 (E_RNA)
where:
Base-Base interactions energy: -111.541
where: short stacking energy: -45.669
Base-Backbone interact. energy: -0.008
local terms energy: -54.815643
where:
bonds (distance) C4'-P energy: -11.160
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -14.224
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -10.897
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: 7, replica: 9
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -144.774168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.774168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.774168 (E_RNA)
where:
Base-Base interactions energy: -81.671
where: short stacking energy: -44.851
Base-Backbone interact. energy: 0.950
local terms energy: -64.053470
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -12.977
tors. eta vs tors. theta energy: -11.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -80.643957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643957 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -29.894
Base-Backbone interact. energy: -0.132
local terms energy: -50.617558
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -11.235
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -6.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -76.849220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.849220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.849220 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -26.030
Base-Backbone interact. energy: -0.064
local terms energy: -44.309072
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -12.472
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -3.559
tors. eta vs tors. theta energy: -1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -79.461286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.461286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.461286 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -25.423
Base-Backbone interact. energy: 0.046
local terms energy: -43.229670
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -10.403
flat angles P-C4'-P energy: -4.750
tors. eta vs tors. theta energy: -1.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -220.433870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.433870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.433870 (E_RNA)
where:
Base-Base interactions energy: -141.437
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.165
local terms energy: -78.831565
where:
bonds (distance) C4'-P energy: -17.708
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -7.226
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: 2, replica: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -223.023114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.023114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.023114 (E_RNA)
where:
Base-Base interactions energy: -141.371
where: short stacking energy: -64.505
Base-Backbone interact. energy: 0.348
local terms energy: -82.000858
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -21.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -217.248706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.248706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.248706 (E_RNA)
where:
Base-Base interactions energy: -148.652
where: short stacking energy: -73.550
Base-Backbone interact. energy: -0.001
local terms energy: -68.595828
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -7.402
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: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -198.734222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.734222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.734222 (E_RNA)
where:
Base-Base interactions energy: -132.727
where: short stacking energy: -57.526
Base-Backbone interact. energy: -0.335
local terms energy: -65.672064
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -13.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -193.925074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.925074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.925074 (E_RNA)
where:
Base-Base interactions energy: -133.678
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.121
local terms energy: -60.126828
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -1.960
tors. eta vs tors. theta energy: -12.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -175.034522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.034522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.034522 (E_RNA)
where:
Base-Base interactions energy: -120.773
where: short stacking energy: -54.842
Base-Backbone interact. energy: 1.794
local terms energy: -56.055638
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -8.591
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: -11.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -106.723259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.723259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.723259 (E_RNA)
where:
Base-Base interactions energy: -56.226
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.153
local terms energy: -50.344401
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -4.256
tors. eta vs tors. theta energy: -4.769
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: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -84.463651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.463651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.463651 (E_RNA)
where:
Base-Base interactions energy: -31.314
where: short stacking energy: -31.314
Base-Backbone interact. energy: -0.091
local terms energy: -53.059017
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -6.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -95.823364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.823364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.823364 (E_RNA)
where:
Base-Base interactions energy: -36.586
where: short stacking energy: -27.088
Base-Backbone interact. energy: -0.525
local terms energy: -58.712589
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -12.551
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -6.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -84.286200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.286200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.286200 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -34.516
Base-Backbone interact. energy: -0.442
local terms energy: -49.184734
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -11.908
flat angles P-C4'-P energy: -6.423
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -227.229613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.229613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.229613 (E_RNA)
where:
Base-Base interactions energy: -148.098
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.319
local terms energy: -78.811871
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.828
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -218.771120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.771120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.771120 (E_RNA)
where:
Base-Base interactions energy: -143.471
where: short stacking energy: -66.922
Base-Backbone interact. energy: -0.492
local terms energy: -74.807716
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -18.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -195.138736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.138736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.138736 (E_RNA)
where:
Base-Base interactions energy: -133.270
where: short stacking energy: -63.098
Base-Backbone interact. energy: -0.154
local terms energy: -61.714792
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -8.207
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -6.275
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: 4, replica: 10
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -207.918477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.918477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.918477 (E_RNA)
where:
Base-Base interactions energy: -135.065
where: short stacking energy: -66.127
Base-Backbone interact. energy: 0.679
local terms energy: -73.532584
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.743
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: 5, replica: 1
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -179.797956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.797956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.797956 (E_RNA)
where:
Base-Base interactions energy: -111.569
where: short stacking energy: -55.854
Base-Backbone interact. energy: -1.049
local terms energy: -67.179548
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -10.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -180.011181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.011181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.011181 (E_RNA)
where:
Base-Base interactions energy: -114.483
where: short stacking energy: -54.568
Base-Backbone interact. energy: -0.014
local terms energy: -65.514385
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -13.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -92.086863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.086863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.086863 (E_RNA)
where:
Base-Base interactions energy: -41.718
where: short stacking energy: -40.775
Base-Backbone interact. energy: -0.009
local terms energy: -50.360285
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -5.405
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: 224
Temperature: 1.250000
Total energy: -84.989952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.989952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.989952 (E_RNA)
where:
Base-Base interactions energy: -35.359
where: short stacking energy: -32.360
Base-Backbone interact. energy: -0.186
local terms energy: -49.444864
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -8.211
flat angles P-C4'-P energy: -9.142
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: 3
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -88.447142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.447142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.447142 (E_RNA)
where:
Base-Base interactions energy: -36.976
where: short stacking energy: -28.970
Base-Backbone interact. energy: 0.430
local terms energy: -51.900833
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -9.253
tors. eta vs tors. theta energy: -0.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -79.848425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.848425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.848425 (E_RNA)
where:
Base-Base interactions energy: -28.747
where: short stacking energy: -28.747
Base-Backbone interact. energy: 0.064
local terms energy: -51.164939
where:
bonds (distance) C4'-P energy: -11.484
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -12.790
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -4.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -219.207810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.207810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.207810 (E_RNA)
where:
Base-Base interactions energy: -144.145
where: short stacking energy: -67.267
Base-Backbone interact. energy: -0.108
local terms energy: -74.955122
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -12.967
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -16.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -205.083869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.083869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.083869 (E_RNA)
where:
Base-Base interactions energy: -133.102
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.005
local terms energy: -71.977650
where:
bonds (distance) C4'-P energy: -15.436
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -14.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -221.319532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.319532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.319532 (E_RNA)
where:
Base-Base interactions energy: -142.895
where: short stacking energy: -69.488
Base-Backbone interact. energy: -0.696
local terms energy: -77.728050
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -10.831
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: 10
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -207.145503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.145503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.145503 (E_RNA)
where:
Base-Base interactions energy: -140.537
where: short stacking energy: -63.270
Base-Backbone interact. energy: -1.073
local terms energy: -65.536285
where:
bonds (distance) C4'-P energy: -10.426
bonds (distance) P-C4' energy: -11.120
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -15.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -186.127006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.127006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.127006 (E_RNA)
where:
Base-Base interactions energy: -117.590
where: short stacking energy: -56.527
Base-Backbone interact. energy: -0.712
local terms energy: -67.824498
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -13.794
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: 6, replica: 4
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -187.903297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.903297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.903297 (E_RNA)
where:
Base-Base interactions energy: -124.187
where: short stacking energy: -48.111
Base-Backbone interact. energy: -0.478
local terms energy: -63.238541
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -12.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -97.713676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.713676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.713676 (E_RNA)
where:
Base-Base interactions energy: -54.109
where: short stacking energy: -39.303
Base-Backbone interact. energy: -0.494
local terms energy: -43.110242
where:
bonds (distance) C4'-P energy: -8.496
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -6.262
flat angles P-C4'-P energy: -8.986
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: 3
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -93.318891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.318891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.318891 (E_RNA)
where:
Base-Base interactions energy: -37.822
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.864
local terms energy: -54.632765
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -77.747077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.747077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.747077 (E_RNA)
where:
Base-Base interactions energy: -30.993
where: short stacking energy: -30.253
Base-Backbone interact. energy: -0.146
local terms energy: -46.608572
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.050
flat angles C4'-P-C4' energy: -9.691
flat angles P-C4'-P energy: -5.614
tors. eta vs tors. theta energy: -2.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -91.133079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133079 (E_RNA)
where:
Base-Base interactions energy: -45.893
where: short stacking energy: -15.834
Base-Backbone interact. energy: 0.047
local terms energy: -45.287470
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.226
tors. eta vs tors. theta energy: 1.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -210.738103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.738103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.738103 (E_RNA)
where:
Base-Base interactions energy: -142.192
where: short stacking energy: -63.007
Base-Backbone interact. energy: -0.107
local terms energy: -68.438854
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -16.257
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -12.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -220.253265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.253265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.253265 (E_RNA)
where:
Base-Base interactions energy: -141.457
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.580
local terms energy: -78.216730
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.367
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: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -212.499372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.499372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.499372 (E_RNA)
where:
Base-Base interactions energy: -134.964
where: short stacking energy: -57.764
Base-Backbone interact. energy: -0.223
local terms energy: -77.312521
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -209.741131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.741131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.741131 (E_RNA)
where:
Base-Base interactions energy: -140.706
where: short stacking energy: -59.913
Base-Backbone interact. energy: -0.041
local terms energy: -68.993665
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -14.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -179.171248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.171248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.171248 (E_RNA)
where:
Base-Base interactions energy: -109.936
where: short stacking energy: -44.827
Base-Backbone interact. energy: -0.517
local terms energy: -68.718585
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -15.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -165.969450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.969450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.969450 (E_RNA)
where:
Base-Base interactions energy: -98.892
where: short stacking energy: -47.208
Base-Backbone interact. energy: -0.401
local terms energy: -66.676432
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -12.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -116.709272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.709272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.709272 (E_RNA)
where:
Base-Base interactions energy: -63.131
where: short stacking energy: -42.576
Base-Backbone interact. energy: 0.291
local terms energy: -53.869057
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -10.324
flat angles P-C4'-P energy: -7.162
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: 8, replica: 9
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -82.720706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.720706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.720706 (E_RNA)
where:
Base-Base interactions energy: -29.552
where: short stacking energy: -27.751
Base-Backbone interact. energy: -0.015
local terms energy: -53.153809
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -10.435
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: 5
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -84.352865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.352865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.352865 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -17.269
Base-Backbone interact. energy: -0.839
local terms energy: -49.126083
where:
bonds (distance) C4'-P energy: -10.649
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.524
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: 8
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -93.136269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.136269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.136269 (E_RNA)
where:
Base-Base interactions energy: -38.567
where: short stacking energy: -36.168
Base-Backbone interact. energy: -0.110
local terms energy: -54.459369
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -10.525
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -7.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -206.462832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.462832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.462832 (E_RNA)
where:
Base-Base interactions energy: -130.086
where: short stacking energy: -63.627
Base-Backbone interact. energy: -0.085
local terms energy: -76.291726
where:
bonds (distance) C4'-P energy: -13.801
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.730
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: 2, replica: 7
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -220.930995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.930995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.930995 (E_RNA)
where:
Base-Base interactions energy: -147.468
where: short stacking energy: -65.518
Base-Backbone interact. energy: -0.065
local terms energy: -73.397966
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -15.352
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -7.165
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: 227
Temperature: 1.000000
Total energy: -222.436793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.436793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.436793 (E_RNA)
where:
Base-Base interactions energy: -151.093
where: short stacking energy: -74.055
Base-Backbone interact. energy: -0.122
local terms energy: -71.221782
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -6.968
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: 4, replica: 10
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -200.789351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.789351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.789351 (E_RNA)
where:
Base-Base interactions energy: -132.404
where: short stacking energy: -59.554
Base-Backbone interact. energy: -0.007
local terms energy: -68.378773
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -9.888
tors. eta vs tors. theta energy: -16.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -202.816436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.816436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.816436 (E_RNA)
where:
Base-Base interactions energy: -132.414
where: short stacking energy: -63.036
Base-Backbone interact. energy: -0.116
local terms energy: -70.286829
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -16.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -108.722979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.722979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.722979 (E_RNA)
where:
Base-Base interactions energy: -48.604
where: short stacking energy: -41.375
Base-Backbone interact. energy: 1.887
local terms energy: -62.005803
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -7.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -169.425076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.425076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.425076 (E_RNA)
where:
Base-Base interactions energy: -110.605
where: short stacking energy: -53.233
Base-Backbone interact. energy: -0.082
local terms energy: -58.738798
where:
bonds (distance) C4'-P energy: -10.596
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -12.939
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -100.320698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.320698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.320698 (E_RNA)
where:
Base-Base interactions energy: -48.970
where: short stacking energy: -29.849
Base-Backbone interact. energy: 0.094
local terms energy: -51.444038
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -6.443
tors. eta vs tors. theta energy: 1.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -81.278332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.278332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.278332 (E_RNA)
where:
Base-Base interactions energy: -27.481
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.082
local terms energy: -53.715255
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -10.467
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -4.417
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: 10, replica: 8
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -79.091550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.091550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.091550 (E_RNA)
where:
Base-Base interactions energy: -37.640
where: short stacking energy: -33.673
Base-Backbone interact. energy: 0.298
local terms energy: -41.750178
where:
bonds (distance) C4'-P energy: -8.858
bonds (distance) P-C4' energy: -11.934
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -2.340
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: 7
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -227.038003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.038003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.038003 (E_RNA)
where:
Base-Base interactions energy: -157.646
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.801
local terms energy: -68.591034
where:
bonds (distance) C4'-P energy: -8.376
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -19.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -199.131270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.131270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.131270 (E_RNA)
where:
Base-Base interactions energy: -129.188
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.214
local terms energy: -69.728449
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -5.902
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -211.007474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.007474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.007474 (E_RNA)
where:
Base-Base interactions energy: -140.311
where: short stacking energy: -69.021
Base-Backbone interact. energy: -0.457
local terms energy: -70.239208
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -18.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -215.847681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.847681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.847681 (E_RNA)
where:
Base-Base interactions energy: -144.779
where: short stacking energy: -62.187
Base-Backbone interact. energy: 1.833
local terms energy: -72.901113
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -16.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -181.863121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.863121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.863121 (E_RNA)
where:
Base-Base interactions energy: -127.759
where: short stacking energy: -46.114
Base-Backbone interact. energy: -0.539
local terms energy: -53.565235
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -11.246
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -3.507
tors. eta vs tors. theta energy: -12.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -102.524005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.524005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.524005 (E_RNA)
where:
Base-Base interactions energy: -42.288
where: short stacking energy: -41.771
Base-Backbone interact. energy: 0.671
local terms energy: -60.907527
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -7.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -111.926325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.926325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.926325 (E_RNA)
where:
Base-Base interactions energy: -50.715
where: short stacking energy: -24.094
Base-Backbone interact. energy: 0.088
local terms energy: -61.299213
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -13.747
tors. eta vs tors. theta energy: -9.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -174.236044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.236044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.236044 (E_RNA)
where:
Base-Base interactions energy: -109.512
where: short stacking energy: -52.350
Base-Backbone interact. energy: -0.969
local terms energy: -63.754743
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -11.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -81.776878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.776878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.776878 (E_RNA)
where:
Base-Base interactions energy: -32.149
where: short stacking energy: -29.706
Base-Backbone interact. energy: -0.014
local terms energy: -49.614618
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -11.473
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: 0.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -75.132370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.132370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.132370 (E_RNA)
where:
Base-Base interactions energy: -20.380
where: short stacking energy: -13.005
Base-Backbone interact. energy: -0.072
local terms energy: -54.680165
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -0.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -237.258958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.258958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.258958 (E_RNA)
where:
Base-Base interactions energy: -158.187
where: short stacking energy: -77.165
Base-Backbone interact. energy: -0.005
local terms energy: -79.066385
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -218.000464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.000464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.000464 (E_RNA)
where:
Base-Base interactions energy: -144.142
where: short stacking energy: -58.973
Base-Backbone interact. energy: -0.092
local terms energy: -73.766826
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -13.506
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -20.667
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: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -195.331015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.331015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.331015 (E_RNA)
where:
Base-Base interactions energy: -124.582
where: short stacking energy: -63.557
Base-Backbone interact. energy: -0.089
local terms energy: -70.660275
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -15.037
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -214.219949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.219949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.219949 (E_RNA)
where:
Base-Base interactions energy: -144.739
where: short stacking energy: -66.763
Base-Backbone interact. energy: -0.000
local terms energy: -69.480037
where:
bonds (distance) C4'-P energy: -9.748
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -10.986
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: 5, replica: 4
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -188.990906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.990906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.990906 (E_RNA)
where:
Base-Base interactions energy: -133.629
where: short stacking energy: -52.780
Base-Backbone interact. energy: -0.343
local terms energy: -55.019480
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -104.958664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.958664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.958664 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -43.668
Base-Backbone interact. energy: -0.001
local terms energy: -60.911902
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -14.660
flat angles P-C4'-P energy: -8.991
tors. eta vs tors. theta energy: -10.746
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: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -102.519356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.519356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.519356 (E_RNA)
where:
Base-Base interactions energy: -55.581
where: short stacking energy: -27.307
Base-Backbone interact. energy: -0.294
local terms energy: -46.644157
where:
bonds (distance) C4'-P energy: -7.994
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -15.008
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -74.235672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.235672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.235672 (E_RNA)
where:
Base-Base interactions energy: -27.229
where: short stacking energy: -23.433
Base-Backbone interact. energy: -0.108
local terms energy: -46.898594
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: 5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -146.763218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.763218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.763218 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -45.672
Base-Backbone interact. energy: -0.135
local terms energy: -53.599802
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -11.405
flat angles C4'-P-C4' energy: -11.420
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -7.226
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: 229
Temperature: 1.350000
Total energy: -87.095335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.095335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.095335 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -33.168
Base-Backbone interact. energy: -0.010
local terms energy: -52.204198
where:
bonds (distance) C4'-P energy: -6.364
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -7.876
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -14.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -232.388596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.388596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.388596 (E_RNA)
where:
Base-Base interactions energy: -149.880
where: short stacking energy: -67.042
Base-Backbone interact. energy: -0.001
local terms energy: -82.508183
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -14.698
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -21.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -229.051463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.051463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.051463 (E_RNA)
where:
Base-Base interactions energy: -152.329
where: short stacking energy: -77.137
Base-Backbone interact. energy: -0.026
local terms energy: -76.696714
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -21.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -214.489070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.489070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.489070 (E_RNA)
where:
Base-Base interactions energy: -143.036
where: short stacking energy: -76.691
Base-Backbone interact. energy: -0.118
local terms energy: -71.334881
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -12.869
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -19.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -188.469412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.469412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.469412 (E_RNA)
where:
Base-Base interactions energy: -122.154
where: short stacking energy: -62.583
Base-Backbone interact. energy: -0.001
local terms energy: -66.314191
where:
bonds (distance) C4'-P energy: -12.840
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -14.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -179.183863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.183863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.183863 (E_RNA)
where:
Base-Base interactions energy: -121.581
where: short stacking energy: -56.621
Base-Backbone interact. energy: -1.341
local terms energy: -56.261538
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -3.987
tors. eta vs tors. theta energy: -11.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -88.686343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686343 (E_RNA)
where:
Base-Base interactions energy: -31.175
where: short stacking energy: -27.106
Base-Backbone interact. energy: -0.101
local terms energy: -57.410592
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -3.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -100.371976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.371976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.371976 (E_RNA)
where:
Base-Base interactions energy: -49.935
where: short stacking energy: -23.269
Base-Backbone interact. energy: -0.342
local terms energy: -50.094832
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -10.753
flat angles P-C4'-P energy: -7.743
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: 8, replica: 8
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -93.547829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.547829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.547829 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -24.344
Base-Backbone interact. energy: -0.115
local terms energy: -55.104481
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -10.082
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: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -135.450885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.450885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.450885 (E_RNA)
where:
Base-Base interactions energy: -78.616
where: short stacking energy: -38.236
Base-Backbone interact. energy: 0.210
local terms energy: -57.044411
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.927
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -3.789
tors. eta vs tors. theta energy: -8.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -90.729016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.729016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.729016 (E_RNA)
where:
Base-Base interactions energy: -37.740
where: short stacking energy: -37.740
Base-Backbone interact. energy: 0.064
local terms energy: -53.052611
where:
bonds (distance) C4'-P energy: -11.967
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: -3.406
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: 1, replica: 2
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -226.642078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.642078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.642078 (E_RNA)
where:
Base-Base interactions energy: -149.499
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.000
local terms energy: -77.143178
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -18.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -224.754552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.754552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.754552 (E_RNA)
where:
Base-Base interactions energy: -152.776
where: short stacking energy: -75.227
Base-Backbone interact. energy: -1.300
local terms energy: -70.678388
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -11.739
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -20.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -218.398951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.398951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.398951 (E_RNA)
where:
Base-Base interactions energy: -136.722
where: short stacking energy: -71.677
Base-Backbone interact. energy: -0.005
local terms energy: -81.671839
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -23.959
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: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -184.602552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.602552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.602552 (E_RNA)
where:
Base-Base interactions energy: -123.530
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.016
local terms energy: -61.056602
where:
bonds (distance) C4'-P energy: -11.976
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -9.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -186.850939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.850939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.850939 (E_RNA)
where:
Base-Base interactions energy: -123.174
where: short stacking energy: -63.048
Base-Backbone interact. energy: -0.005
local terms energy: -63.671010
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -5.721
tors. eta vs tors. theta energy: -14.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -100.735105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.735105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.735105 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -43.221
Base-Backbone interact. energy: -0.607
local terms energy: -55.772585
where:
bonds (distance) C4'-P energy: -10.276
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.584
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: 7, replica: 5
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -78.754437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.754437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.754437 (E_RNA)
where:
Base-Base interactions energy: -28.359
where: short stacking energy: -28.242
Base-Backbone interact. energy: -0.187
local terms energy: -50.208000
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -1.871
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -169.656421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.656421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.656421 (E_RNA)
where:
Base-Base interactions energy: -105.776
where: short stacking energy: -49.810
Base-Backbone interact. energy: -0.086
local terms energy: -63.795323
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -11.430
flat angles P-C4'-P energy: -8.746
tors. eta vs tors. theta energy: -14.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -83.609275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.609275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.609275 (E_RNA)
where:
Base-Base interactions energy: -27.907
where: short stacking energy: -22.884
Base-Backbone interact. energy: -0.350
local terms energy: -55.352802
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -11.637
tors. eta vs tors. theta energy: -2.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.744526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.744526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.744526 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -31.313
Base-Backbone interact. energy: 0.351
local terms energy: -45.781840
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -8.758
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -1.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -224.648098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.648098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.648098 (E_RNA)
where:
Base-Base interactions energy: -142.423
where: short stacking energy: -66.669
Base-Backbone interact. energy: -0.022
local terms energy: -82.203108
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -8.797
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: 7
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -221.059745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.059745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.059745 (E_RNA)
where:
Base-Base interactions energy: -146.645
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.374
local terms energy: -74.040657
where:
bonds (distance) C4'-P energy: -12.334
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -21.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -215.377127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.377127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.377127 (E_RNA)
where:
Base-Base interactions energy: -151.696
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.009
local terms energy: -63.673036
where:
bonds (distance) C4'-P energy: -10.864
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -10.602
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -17.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -196.704796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.704796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.704796 (E_RNA)
where:
Base-Base interactions energy: -128.174
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.506
local terms energy: -68.023902
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -16.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -173.652051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.652051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.652051 (E_RNA)
where:
Base-Base interactions energy: -114.704
where: short stacking energy: -51.296
Base-Backbone interact. energy: -0.666
local terms energy: -58.282330
where:
bonds (distance) C4'-P energy: -10.459
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -7.560
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: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -99.708693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.708693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.708693 (E_RNA)
where:
Base-Base interactions energy: -52.638
where: short stacking energy: -36.095
Base-Backbone interact. energy: 2.224
local terms energy: -49.294327
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -10.258
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -6.770
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: 7, replica: 1
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -171.190721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.190721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.190721 (E_RNA)
where:
Base-Base interactions energy: -115.832
where: short stacking energy: -48.616
Base-Backbone interact. energy: -0.159
local terms energy: -55.199209
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.252
flat angles C4'-P-C4' energy: -11.949
flat angles P-C4'-P energy: -6.946
tors. eta vs tors. theta energy: -9.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -96.111254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.111254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.111254 (E_RNA)
where:
Base-Base interactions energy: -39.952
where: short stacking energy: -34.996
Base-Backbone interact. energy: -0.406
local terms energy: -55.752792
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -14.174
flat angles P-C4'-P energy: -8.795
tors. eta vs tors. theta energy: -5.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -88.357758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.357758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.357758 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -37.480
Base-Backbone interact. energy: -0.042
local terms energy: -50.835185
where:
bonds (distance) C4'-P energy: -9.288
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -10.954
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -11.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -87.033650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033650 (E_RNA)
where:
Base-Base interactions energy: -32.108
where: short stacking energy: -27.764
Base-Backbone interact. energy: -0.071
local terms energy: -54.854583
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -7.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -227.786723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.786723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.786723 (E_RNA)
where:
Base-Base interactions energy: -150.088
where: short stacking energy: -70.350
Base-Backbone interact. energy: -0.028
local terms energy: -77.671120
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -19.207
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: 7
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -219.650958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.650958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.650958 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.004
local terms energy: -78.825412
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -20.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -223.478823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.478823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.478823 (E_RNA)
where:
Base-Base interactions energy: -144.717
where: short stacking energy: -65.366
Base-Backbone interact. energy: -0.866
local terms energy: -77.895817
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -11.780
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: 233
Temperature: 1.050000
Total energy: -189.980169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.980169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.980169 (E_RNA)
where:
Base-Base interactions energy: -123.193
where: short stacking energy: -50.656
Base-Backbone interact. energy: -0.037
local terms energy: -66.749547
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -12.881
tors. eta vs tors. theta energy: -13.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -183.198890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.198890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.198890 (E_RNA)
where:
Base-Base interactions energy: -114.931
where: short stacking energy: -58.816
Base-Backbone interact. energy: -0.059
local terms energy: -68.208542
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -14.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -178.725153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.725153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.725153 (E_RNA)
where:
Base-Base interactions energy: -118.780
where: short stacking energy: -49.200
Base-Backbone interact. energy: 1.971
local terms energy: -61.917029
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -15.254
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -8.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -98.982925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.982925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.982925 (E_RNA)
where:
Base-Base interactions energy: -47.541
where: short stacking energy: -38.944
Base-Backbone interact. energy: -0.142
local terms energy: -51.300681
where:
bonds (distance) C4'-P energy: -10.026
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -13.389
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -4.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -97.737252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737252 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -27.695
Base-Backbone interact. energy: 2.070
local terms energy: -53.174532
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -9.001
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -3.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -79.386109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.386109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.386109 (E_RNA)
where:
Base-Base interactions energy: -34.927
where: short stacking energy: -17.861
Base-Backbone interact. energy: -0.102
local terms energy: -44.357541
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -7.512
flat angles P-C4'-P energy: -7.579
tors. eta vs tors. theta energy: -0.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -79.265809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.265809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.265809 (E_RNA)
where:
Base-Base interactions energy: -31.508
where: short stacking energy: -22.127
Base-Backbone interact. energy: -0.155
local terms energy: -47.603080
where:
bonds (distance) C4'-P energy: -10.116
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -8.586
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: 7
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -221.276260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.276260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.276260 (E_RNA)
where:
Base-Base interactions energy: -144.488
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.054
local terms energy: -76.734248
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -14.215
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -221.914310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.914310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.914310 (E_RNA)
where:
Base-Base interactions energy: -143.423
where: short stacking energy: -72.315
Base-Backbone interact. energy: -0.004
local terms energy: -78.486757
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -19.258
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: 10
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -227.445545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.445545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.445545 (E_RNA)
where:
Base-Base interactions energy: -151.560
where: short stacking energy: -76.993
Base-Backbone interact. energy: -0.019
local terms energy: -75.866556
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -5.872
tors. eta vs tors. theta energy: -22.802
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: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -183.752327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.752327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.752327 (E_RNA)
where:
Base-Base interactions energy: -120.885
where: short stacking energy: -60.816
Base-Backbone interact. energy: -0.047
local terms energy: -62.820465
where:
bonds (distance) C4'-P energy: -11.876
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -12.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -177.760378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.760378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.760378 (E_RNA)
where:
Base-Base interactions energy: -120.147
where: short stacking energy: -58.201
Base-Backbone interact. energy: -0.082
local terms energy: -57.531247
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.320
flat angles C4'-P-C4' energy: -8.762
flat angles P-C4'-P energy: -8.883
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: 6, replica: 1
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -173.324495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324495 (E_RNA)
where:
Base-Base interactions energy: -109.381
where: short stacking energy: -55.927
Base-Backbone interact. energy: -0.088
local terms energy: -63.855589
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -10.998
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -85.179192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.179192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.179192 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -31.894
Base-Backbone interact. energy: -0.245
local terms energy: -53.039821
where:
bonds (distance) C4'-P energy: -12.968
bonds (distance) P-C4' energy: -9.348
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -8.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -88.004110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.004110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.004110 (E_RNA)
where:
Base-Base interactions energy: -33.627
where: short stacking energy: -23.644
Base-Backbone interact. energy: -0.072
local terms energy: -54.305731
where:
bonds (distance) C4'-P energy: -13.303
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -3.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -75.882162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.882162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.882162 (E_RNA)
where:
Base-Base interactions energy: -24.390
where: short stacking energy: -24.390
Base-Backbone interact. energy: -0.108
local terms energy: -51.383997
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.420
flat angles P-C4'-P energy: -4.068
tors. eta vs tors. theta energy: -5.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.449624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.449624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.449624 (E_RNA)
where:
Base-Base interactions energy: -35.128
where: short stacking energy: -16.892
Base-Backbone interact. energy: -0.609
local terms energy: -45.712529
where:
bonds (distance) C4'-P energy: -9.835
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -11.070
flat angles P-C4'-P energy: -8.023
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: 1, replica: 7
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -211.710928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.710928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.710928 (E_RNA)
where:
Base-Base interactions energy: -134.284
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.066
local terms energy: -77.361188
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -12.500
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: 2, replica: 10
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -229.770633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.770633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.770633 (E_RNA)
where:
Base-Base interactions energy: -145.519
where: short stacking energy: -73.479
Base-Backbone interact. energy: -0.001
local terms energy: -84.250760
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.738
flat angles P-C4'-P energy: -13.196
tors. eta vs tors. theta energy: -22.629
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: 235
Temperature: 1.000000
Total energy: -222.478265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.478265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.478265 (E_RNA)
where:
Base-Base interactions energy: -152.744
where: short stacking energy: -69.571
Base-Backbone interact. energy: -0.066
local terms energy: -69.668003
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -194.880440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.880440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.880440 (E_RNA)
where:
Base-Base interactions energy: -122.704
where: short stacking energy: -61.231
Base-Backbone interact. energy: -0.056
local terms energy: -72.120692
where:
bonds (distance) C4'-P energy: -15.681
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.731
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: 5, replica: 6
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -177.779440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.779440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.779440 (E_RNA)
where:
Base-Base interactions energy: -112.706
where: short stacking energy: -51.150
Base-Backbone interact. energy: -0.265
local terms energy: -64.808592
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -14.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -185.314789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.314789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.314789 (E_RNA)
where:
Base-Base interactions energy: -126.181
where: short stacking energy: -68.119
Base-Backbone interact. energy: -0.056
local terms energy: -59.078219
where:
bonds (distance) C4'-P energy: -9.598
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: -13.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -90.872362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872362 (E_RNA)
where:
Base-Base interactions energy: -37.572
where: short stacking energy: -33.216
Base-Backbone interact. energy: 1.247
local terms energy: -54.547385
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.182
flat angles P-C4'-P energy: -9.449
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: 3
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -96.121437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.121437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.121437 (E_RNA)
where:
Base-Base interactions energy: -38.878
where: short stacking energy: -31.779
Base-Backbone interact. energy: -0.120
local terms energy: -57.123565
where:
bonds (distance) C4'-P energy: -12.706
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -13.135
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -5.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -86.418526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.418526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.418526 (E_RNA)
where:
Base-Base interactions energy: -38.529
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.102
local terms energy: -47.786898
where:
bonds (distance) C4'-P energy: -10.654
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -11.921
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -5.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -79.306164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.306164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.306164 (E_RNA)
where:
Base-Base interactions energy: -37.668
where: short stacking energy: -27.640
Base-Backbone interact. energy: 0.729
local terms energy: -42.367422
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -6.654
tors. eta vs tors. theta energy: 0.974
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: 236
Temperature: 0.900000
Total energy: -235.404038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.404038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.404038 (E_RNA)
where:
Base-Base interactions energy: -151.554
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.000
local terms energy: -83.849547
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -13.187
tors. eta vs tors. theta energy: -20.658
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: 2, replica: 7
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -223.233082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.233082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.233082 (E_RNA)
where:
Base-Base interactions energy: -151.856
where: short stacking energy: -65.939
Base-Backbone interact. energy: -0.050
local terms energy: -71.327766
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -13.201
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -223.282551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.282551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.282551 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -65.686
Base-Backbone interact. energy: -0.007
local terms energy: -78.065824
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -15.446
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -19.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -197.268048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.268048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.268048 (E_RNA)
where:
Base-Base interactions energy: -126.292
where: short stacking energy: -59.384
Base-Backbone interact. energy: -0.117
local terms energy: -70.859454
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.113
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: 5, replica: 6
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -191.572198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.572198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.572198 (E_RNA)
where:
Base-Base interactions energy: -121.682
where: short stacking energy: -52.985
Base-Backbone interact. energy: -0.115
local terms energy: -69.776092
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -164.216268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.216268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.216268 (E_RNA)
where:
Base-Base interactions energy: -95.378
where: short stacking energy: -51.131
Base-Backbone interact. energy: -0.003
local terms energy: -68.834776
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -11.565
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -18.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -80.632073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.632073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.632073 (E_RNA)
where:
Base-Base interactions energy: -33.182
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.201
local terms energy: -47.248884
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -7.896
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -88.971669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.971669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.971669 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -31.672
Base-Backbone interact. energy: 0.532
local terms energy: -53.122114
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -15.194
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -7.612
tors. eta vs tors. theta energy: -3.781
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: 9, replica: 5
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -86.310997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.310997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.310997 (E_RNA)
where:
Base-Base interactions energy: -30.193
where: short stacking energy: -30.193
Base-Backbone interact. energy: -0.034
local terms energy: -56.084761
where:
bonds (distance) C4'-P energy: -11.701
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -7.084
tors. eta vs tors. theta energy: -6.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -79.837779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.837779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.837779 (E_RNA)
where:
Base-Base interactions energy: -39.670
where: short stacking energy: -23.270
Base-Backbone interact. energy: -0.650
local terms energy: -39.517023
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -8.560
flat angles P-C4'-P energy: 2.005
tors. eta vs tors. theta energy: -7.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -226.153766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.153766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.153766 (E_RNA)
where:
Base-Base interactions energy: -151.997
where: short stacking energy: -67.431
Base-Backbone interact. energy: -0.001
local terms energy: -74.155279
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -10.693
tors. eta vs tors. theta energy: -19.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -231.009254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.009254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.009254 (E_RNA)
where:
Base-Base interactions energy: -148.410
where: short stacking energy: -70.913
Base-Backbone interact. energy: -0.002
local terms energy: -82.596398
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -223.659539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.659539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.659539 (E_RNA)
where:
Base-Base interactions energy: -149.994
where: short stacking energy: -72.909
Base-Backbone interact. energy: -0.584
local terms energy: -73.082104
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -15.331
flat angles P-C4'-P energy: -9.438
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: 4, replica: 6
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -196.657319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.657319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.657319 (E_RNA)
where:
Base-Base interactions energy: -123.363
where: short stacking energy: -60.611
Base-Backbone interact. energy: -0.003
local terms energy: -73.291736
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -15.930
flat angles P-C4'-P energy: -8.819
tors. eta vs tors. theta energy: -14.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -176.008531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.008531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.008531 (E_RNA)
where:
Base-Base interactions energy: -113.414
where: short stacking energy: -52.963
Base-Backbone interact. energy: -0.114
local terms energy: -62.480878
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -10.815
flat angles C4'-P-C4' energy: -11.165
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -14.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -167.425839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.425839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.425839 (E_RNA)
where:
Base-Base interactions energy: -109.785
where: short stacking energy: -48.595
Base-Backbone interact. energy: -0.078
local terms energy: -57.562942
where:
bonds (distance) C4'-P energy: -10.244
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: 1.270
tors. eta vs tors. theta energy: -15.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -100.109693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.109693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.109693 (E_RNA)
where:
Base-Base interactions energy: -43.071
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.155
local terms energy: -56.883716
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -10.963
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -90.878055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.878055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.878055 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -30.404
Base-Backbone interact. energy: -0.175
local terms energy: -55.298558
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -12.844
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -91.730446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.730446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.730446 (E_RNA)
where:
Base-Base interactions energy: -41.568
where: short stacking energy: -36.967
Base-Backbone interact. energy: -0.019
local terms energy: -50.143732
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -14.881
flat angles C4'-P-C4' energy: -9.075
flat angles P-C4'-P energy: -6.807
tors. eta vs tors. theta energy: -7.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -74.247637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.247637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.247637 (E_RNA)
where:
Base-Base interactions energy: -25.882
where: short stacking energy: -21.208
Base-Backbone interact. energy: -0.134
local terms energy: -48.231979
where:
bonds (distance) C4'-P energy: -15.393
bonds (distance) P-C4' energy: -9.117
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -9.326
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: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -227.916924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.916924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.916924 (E_RNA)
where:
Base-Base interactions energy: -147.251
where: short stacking energy: -72.918
Base-Backbone interact. energy: -0.001
local terms energy: -80.664831
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -23.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -227.918091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.918091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.918091 (E_RNA)
where:
Base-Base interactions energy: -150.879
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.157
local terms energy: -76.882393
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -10.903
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: 7
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -230.930477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.930477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.930477 (E_RNA)
where:
Base-Base interactions energy: -152.679
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.318
local terms energy: -77.933142
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -12.851
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -23.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -196.617154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.617154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.617154 (E_RNA)
where:
Base-Base interactions energy: -129.396
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.149
local terms energy: -67.072081
where:
bonds (distance) C4'-P energy: -16.492
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.370
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -14.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -196.645674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.645674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.645674 (E_RNA)
where:
Base-Base interactions energy: -128.284
where: short stacking energy: -62.479
Base-Backbone interact. energy: 0.091
local terms energy: -68.452659
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.138
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: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -196.319383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.319383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.319383 (E_RNA)
where:
Base-Base interactions energy: -130.725
where: short stacking energy: -59.834
Base-Backbone interact. energy: 0.227
local terms energy: -65.821582
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -12.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -92.548876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.548876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.548876 (E_RNA)
where:
Base-Base interactions energy: -40.426
where: short stacking energy: -30.453
Base-Backbone interact. energy: -0.014
local terms energy: -52.109245
where:
bonds (distance) C4'-P energy: -17.026
bonds (distance) P-C4' energy: -17.187
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: 0.500
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: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -84.750546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.750546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.750546 (E_RNA)
where:
Base-Base interactions energy: -29.850
where: short stacking energy: -24.480
Base-Backbone interact. energy: -0.524
local terms energy: -54.375923
where:
bonds (distance) C4'-P energy: -8.334
bonds (distance) P-C4' energy: -17.211
flat angles C4'-P-C4' energy: -15.580
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -2.048
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: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -83.062991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.062991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.062991 (E_RNA)
where:
Base-Base interactions energy: -38.096
where: short stacking energy: -30.316
Base-Backbone interact. energy: -0.073
local terms energy: -44.893918
where:
bonds (distance) C4'-P energy: -14.045
bonds (distance) P-C4' energy: -11.967
flat angles C4'-P-C4' energy: -11.124
flat angles P-C4'-P energy: -4.243
tors. eta vs tors. theta energy: -3.515
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: 10, replica: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -81.169977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.169977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.169977 (E_RNA)
where:
Base-Base interactions energy: -32.552
where: short stacking energy: -32.552
Base-Backbone interact. energy: -0.061
local terms energy: -48.556853
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -6.752
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -5.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -219.631708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.631708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.631708 (E_RNA)
where:
Base-Base interactions energy: -144.407
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.062
local terms energy: -75.162885
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -22.630
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: 7
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -228.595058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.595058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.595058 (E_RNA)
where:
Base-Base interactions energy: -152.819
where: short stacking energy: -70.615
Base-Backbone interact. energy: -0.290
local terms energy: -75.486476
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -9.878
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: 3, replica: 2
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -216.213222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.213222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.213222 (E_RNA)
where:
Base-Base interactions energy: -142.368
where: short stacking energy: -66.473
Base-Backbone interact. energy: -0.123
local terms energy: -73.722723
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -178.542732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.542732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.542732 (E_RNA)
where:
Base-Base interactions energy: -108.264
where: short stacking energy: -52.273
Base-Backbone interact. energy: -0.038
local terms energy: -70.241600
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -14.192
tors. eta vs tors. theta energy: -11.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -182.033808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.033808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.033808 (E_RNA)
where:
Base-Base interactions energy: -115.926
where: short stacking energy: -47.947
Base-Backbone interact. energy: -0.096
local terms energy: -66.011893
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.936
tors. eta vs tors. theta energy: -12.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -181.128470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.128470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.128470 (E_RNA)
where:
Base-Base interactions energy: -122.076
where: short stacking energy: -52.650
Base-Backbone interact. energy: -0.258
local terms energy: -58.793666
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -15.465
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -10.267
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: 7, replica: 9
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -87.520949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.520949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.520949 (E_RNA)
where:
Base-Base interactions energy: -35.801
where: short stacking energy: -30.783
Base-Backbone interact. energy: -0.280
local terms energy: -51.439665
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -104.961447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.961447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.961447 (E_RNA)
where:
Base-Base interactions energy: -50.103
where: short stacking energy: -38.629
Base-Backbone interact. energy: -0.148
local terms energy: -54.710550
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -12.881
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -5.532
tors. eta vs tors. theta energy: -6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -111.738610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.738610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.738610 (E_RNA)
where:
Base-Base interactions energy: -54.673
where: short stacking energy: -23.867
Base-Backbone interact. energy: 0.604
local terms energy: -57.670335
where:
bonds (distance) C4'-P energy: -16.873
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: 0.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -76.736143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.736143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.736143 (E_RNA)
where:
Base-Base interactions energy: -28.553
where: short stacking energy: -27.909
Base-Backbone interact. energy: -0.237
local terms energy: -47.945896
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -9.349
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -1.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -234.616894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.616894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.616894 (E_RNA)
where:
Base-Base interactions energy: -154.858
where: short stacking energy: -77.496
Base-Backbone interact. energy: -0.201
local terms energy: -79.557552
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -21.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -224.837674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.837674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.837674 (E_RNA)
where:
Base-Base interactions energy: -149.906
where: short stacking energy: -69.435
Base-Backbone interact. energy: 1.331
local terms energy: -76.262114
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.476
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: 1
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -198.349455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.349455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.349455 (E_RNA)
where:
Base-Base interactions energy: -130.150
where: short stacking energy: -64.082
Base-Backbone interact. energy: -0.089
local terms energy: -68.111096
where:
bonds (distance) C4'-P energy: -11.205
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.735
tors. eta vs tors. theta energy: -13.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -208.228134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.228134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.228134 (E_RNA)
where:
Base-Base interactions energy: -135.531
where: short stacking energy: -58.075
Base-Backbone interact. energy: -0.001
local terms energy: -72.695746
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -16.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -183.644537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.644537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.644537 (E_RNA)
where:
Base-Base interactions energy: -113.801
where: short stacking energy: -55.140
Base-Backbone interact. energy: 0.551
local terms energy: -70.394333
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -13.649
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -180.155138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.155138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.155138 (E_RNA)
where:
Base-Base interactions energy: -115.780
where: short stacking energy: -58.318
Base-Backbone interact. energy: -0.055
local terms energy: -64.320171
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -10.463
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -15.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -87.777674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777674 (E_RNA)
where:
Base-Base interactions energy: -29.989
where: short stacking energy: -29.989
Base-Backbone interact. energy: -0.039
local terms energy: -57.749618
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -9.071
tors. eta vs tors. theta energy: -7.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -88.813664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813664 (E_RNA)
where:
Base-Base interactions energy: -45.288
where: short stacking energy: -21.133
Base-Backbone interact. energy: -0.123
local terms energy: -43.402503
where:
bonds (distance) C4'-P energy: -12.484
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: 1.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -104.353363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.353363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.353363 (E_RNA)
where:
Base-Base interactions energy: -59.594
where: short stacking energy: -28.260
Base-Backbone interact. energy: -0.836
local terms energy: -43.923642
where:
bonds (distance) C4'-P energy: -6.236
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -89.513461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.513461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.513461 (E_RNA)
where:
Base-Base interactions energy: -39.819
where: short stacking energy: -10.295
Base-Backbone interact. energy: -0.048
local terms energy: -49.647210
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: 0.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -233.820784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.820784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.820784 (E_RNA)
where:
Base-Base interactions energy: -155.378
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.010
local terms energy: -78.432871
where:
bonds (distance) C4'-P energy: -15.445
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -19.978
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: 2, replica: 10
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -223.821131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.821131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.821131 (E_RNA)
where:
Base-Base interactions energy: -141.106
where: short stacking energy: -70.766
Base-Backbone interact. energy: -0.002
local terms energy: -82.712785
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -11.418
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: 3, replica: 1
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -198.197129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.197129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.197129 (E_RNA)
where:
Base-Base interactions energy: -131.996
where: short stacking energy: -67.331
Base-Backbone interact. energy: -0.028
local terms energy: -66.173319
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -16.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -202.291481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.291481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.291481 (E_RNA)
where:
Base-Base interactions energy: -129.828
where: short stacking energy: -67.994
Base-Backbone interact. energy: -0.222
local terms energy: -72.241388
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -10.260
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -20.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -178.205299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.205299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.205299 (E_RNA)
where:
Base-Base interactions energy: -110.629
where: short stacking energy: -63.672
Base-Backbone interact. energy: -0.144
local terms energy: -67.432592
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -16.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -180.071043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.071043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.071043 (E_RNA)
where:
Base-Base interactions energy: -109.144
where: short stacking energy: -56.627
Base-Backbone interact. energy: -0.004
local terms energy: -70.922991
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -18.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -103.072629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.072629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.072629 (E_RNA)
where:
Base-Base interactions energy: -47.328
where: short stacking energy: -32.579
Base-Backbone interact. energy: -0.540
local terms energy: -55.204297
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -7.607
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: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -125.573460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.573460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.573460 (E_RNA)
where:
Base-Base interactions energy: -69.469
where: short stacking energy: -35.068
Base-Backbone interact. energy: -0.159
local terms energy: -55.945914
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -12.613
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -5.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -80.720987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.720987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.720987 (E_RNA)
where:
Base-Base interactions energy: -32.507
where: short stacking energy: -21.805
Base-Backbone interact. energy: -0.089
local terms energy: -48.124957
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -10.004
flat angles P-C4'-P energy: -9.136
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -78.764670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764670 (E_RNA)
where:
Base-Base interactions energy: -30.808
where: short stacking energy: -30.808
Base-Backbone interact. energy: -0.158
local terms energy: -47.798601
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -11.688
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -4.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -231.245474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.245474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.245474 (E_RNA)
where:
Base-Base interactions energy: -153.298
where: short stacking energy: -70.874
Base-Backbone interact. energy: -0.300
local terms energy: -77.647340
where:
bonds (distance) C4'-P energy: -15.940
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.372
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: 2, replica: 10
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -226.323925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.323925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.323925 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.041
local terms energy: -76.274528
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -16.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -207.555591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.555591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.555591 (E_RNA)
where:
Base-Base interactions energy: -129.501
where: short stacking energy: -59.303
Base-Backbone interact. energy: -0.014
local terms energy: -78.040806
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -20.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -188.522286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.522286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.522286 (E_RNA)
where:
Base-Base interactions energy: -119.962
where: short stacking energy: -63.492
Base-Backbone interact. energy: 0.176
local terms energy: -68.736669
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -9.025
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -183.497365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.497365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.497365 (E_RNA)
where:
Base-Base interactions energy: -117.067
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.272
local terms energy: -66.158493
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -9.653
tors. eta vs tors. theta energy: -14.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -174.261611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.261611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.261611 (E_RNA)
where:
Base-Base interactions energy: -116.969
where: short stacking energy: -49.471
Base-Backbone interact. energy: -0.091
local terms energy: -57.201154
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -8.250
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.259
tors. eta vs tors. theta energy: -13.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -121.061203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.061203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.061203 (E_RNA)
where:
Base-Base interactions energy: -72.894
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.001
local terms energy: -48.166022
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -90.648652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.648652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.648652 (E_RNA)
where:
Base-Base interactions energy: -43.136
where: short stacking energy: -21.167
Base-Backbone interact. energy: -0.134
local terms energy: -47.378669
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -6.123
tors. eta vs tors. theta energy: 0.828
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: 3
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -113.678146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.678146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.678146 (E_RNA)
where:
Base-Base interactions energy: -53.863
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.050
local terms energy: -59.765313
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -10.898
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -13.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -73.024148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.024148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.024148 (E_RNA)
where:
Base-Base interactions energy: -21.204
where: short stacking energy: -21.204
Base-Backbone interact. energy: -0.496
local terms energy: -51.324811
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: 3.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -233.417522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.417522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.417522 (E_RNA)
where:
Base-Base interactions energy: -156.040
where: short stacking energy: -72.867
Base-Backbone interact. energy: -0.014
local terms energy: -77.363355
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.797
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: 2, replica: 2
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -212.959500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.959500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.959500 (E_RNA)
where:
Base-Base interactions energy: -136.696
where: short stacking energy: -71.384
Base-Backbone interact. energy: -0.020
local terms energy: -76.243526
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -220.876497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.876497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.876497 (E_RNA)
where:
Base-Base interactions energy: -150.777
where: short stacking energy: -63.493
Base-Backbone interact. energy: -0.403
local terms energy: -69.696617
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -8.846
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: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -186.536476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.536476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.536476 (E_RNA)
where:
Base-Base interactions energy: -116.375
where: short stacking energy: -51.299
Base-Backbone interact. energy: -0.191
local terms energy: -69.970160
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -14.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -189.829567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829567 (E_RNA)
where:
Base-Base interactions energy: -120.117
where: short stacking energy: -45.275
Base-Backbone interact. energy: -0.242
local terms energy: -69.471030
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -12.327
tors. eta vs tors. theta energy: -15.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -187.066481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.066481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.066481 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -54.524
Base-Backbone interact. energy: -0.323
local terms energy: -65.832613
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -7.929
tors. eta vs tors. theta energy: -13.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -107.953096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.953096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.953096 (E_RNA)
where:
Base-Base interactions energy: -48.073
where: short stacking energy: -39.121
Base-Backbone interact. energy: -0.188
local terms energy: -59.691336
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -11.232
flat angles P-C4'-P energy: -10.549
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -81.580045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.580045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.580045 (E_RNA)
where:
Base-Base interactions energy: -34.484
where: short stacking energy: -31.544
Base-Backbone interact. energy: -0.007
local terms energy: -47.088778
where:
bonds (distance) C4'-P energy: -9.875
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -8.213
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: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -79.476093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.476093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.476093 (E_RNA)
where:
Base-Base interactions energy: -29.056
where: short stacking energy: -28.048
Base-Backbone interact. energy: -0.113
local terms energy: -50.307495
where:
bonds (distance) C4'-P energy: -11.204
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: -3.016
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: 243
Temperature: 1.350000
Total energy: -80.562830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.562830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.562830 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -33.843
Base-Backbone interact. energy: 0.143
local terms energy: -46.862765
where:
bonds (distance) C4'-P energy: -10.021
bonds (distance) P-C4' energy: -14.247
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.452
tors. eta vs tors. theta energy: -2.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -229.593718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.593718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.593718 (E_RNA)
where:
Base-Base interactions energy: -149.733
where: short stacking energy: -73.764
Base-Backbone interact. energy: -0.284
local terms energy: -79.577298
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -12.877
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: 2, replica: 2
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -206.451456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.451456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.451456 (E_RNA)
where:
Base-Base interactions energy: -132.708
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.751
local terms energy: -72.991664
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -17.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -216.059037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.059037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.059037 (E_RNA)
where:
Base-Base interactions energy: -144.691
where: short stacking energy: -67.741
Base-Backbone interact. energy: -0.020
local terms energy: -71.347869
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -12.227
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -16.590
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: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -191.636272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.636272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.636272 (E_RNA)
where:
Base-Base interactions energy: -132.410
where: short stacking energy: -55.319
Base-Backbone interact. energy: -0.025
local terms energy: -59.201129
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -12.906
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: 244
Temperature: 1.100000
Total energy: -178.737449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.737449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.737449 (E_RNA)
where:
Base-Base interactions energy: -115.155
where: short stacking energy: -47.568
Base-Backbone interact. energy: -0.163
local terms energy: -63.418967
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -10.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -175.865002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.865002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.865002 (E_RNA)
where:
Base-Base interactions energy: -116.924
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.356
local terms energy: -58.585578
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -10.363
flat angles C4'-P-C4' energy: -10.242
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -11.771
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: 3
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -143.946447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.946447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.946447 (E_RNA)
where:
Base-Base interactions energy: -82.011
where: short stacking energy: -39.519
Base-Backbone interact. energy: -0.274
local terms energy: -61.662028
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -12.795
flat angles P-C4'-P energy: -7.967
tors. eta vs tors. theta energy: -13.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -92.234998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.234998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.234998 (E_RNA)
where:
Base-Base interactions energy: -39.776
where: short stacking energy: -15.536
Base-Backbone interact. energy: -0.601
local terms energy: -51.857480
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -9.012
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -7.104
tors. eta vs tors. theta energy: -4.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -78.141535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.141535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.141535 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -32.637
Base-Backbone interact. energy: -0.243
local terms energy: -45.261015
where:
bonds (distance) C4'-P energy: -11.958
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -6.814
flat angles P-C4'-P energy: -8.822
tors. eta vs tors. theta energy: -2.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -79.429621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.429621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.429621 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.311
local terms energy: -47.573308
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -2.841
tors. eta vs tors. theta energy: -2.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -230.414225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.414225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.414225 (E_RNA)
where:
Base-Base interactions energy: -151.392
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.075
local terms energy: -78.947531
where:
bonds (distance) C4'-P energy: -13.270
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -18.301
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: 10
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -227.311638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311638 (E_RNA)
where:
Base-Base interactions energy: -150.085
where: short stacking energy: -71.445
Base-Backbone interact. energy: -0.087
local terms energy: -77.139181
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -24.248
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: 2
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -210.312448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.312448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.312448 (E_RNA)
where:
Base-Base interactions energy: -136.384
where: short stacking energy: -63.349
Base-Backbone interact. energy: -0.098
local terms energy: -73.830365
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -11.759
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -18.590
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: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -199.145707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.145707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.145707 (E_RNA)
where:
Base-Base interactions energy: -123.630
where: short stacking energy: -55.606
Base-Backbone interact. energy: -0.904
local terms energy: -74.611770
where:
bonds (distance) C4'-P energy: -16.823
bonds (distance) P-C4' energy: -14.467
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -11.686
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: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -180.244137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.244137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.244137 (E_RNA)
where:
Base-Base interactions energy: -114.029
where: short stacking energy: -51.057
Base-Backbone interact. energy: -0.006
local terms energy: -66.209559
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -13.388
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: -14.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -180.450051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.450051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.450051 (E_RNA)
where:
Base-Base interactions energy: -122.503
where: short stacking energy: -62.009
Base-Backbone interact. energy: -0.037
local terms energy: -57.909778
where:
bonds (distance) C4'-P energy: -10.215
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -15.699
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -11.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -132.414336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.414336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.414336 (E_RNA)
where:
Base-Base interactions energy: -79.340
where: short stacking energy: -36.161
Base-Backbone interact. energy: -0.629
local terms energy: -52.445248
where:
bonds (distance) C4'-P energy: -12.309
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -3.640
tors. eta vs tors. theta energy: -8.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -94.675912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.675912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.675912 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -34.394
Base-Backbone interact. energy: 0.053
local terms energy: -60.334444
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -5.619
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: 5
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -86.672233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.672233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.672233 (E_RNA)
where:
Base-Base interactions energy: -34.564
where: short stacking energy: -34.298
Base-Backbone interact. energy: 1.390
local terms energy: -53.497688
where:
bonds (distance) C4'-P energy: -14.758
bonds (distance) P-C4' energy: -13.880
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -3.409
tors. eta vs tors. theta energy: -8.648
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: 10, replica: 8
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -90.494848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494848 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -22.066
Base-Backbone interact. energy: 0.145
local terms energy: -53.133872
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -5.674
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: 10
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -229.210454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.210454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.210454 (E_RNA)
where:
Base-Base interactions energy: -148.681
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.594
local terms energy: -79.935730
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.602
flat angles C4'-P-C4' energy: -17.727
flat angles P-C4'-P energy: -10.761
tors. eta vs tors. theta energy: -21.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -229.239248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.239248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.239248 (E_RNA)
where:
Base-Base interactions energy: -145.152
where: short stacking energy: -75.104
Base-Backbone interact. energy: -0.082
local terms energy: -84.004937
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -13.461
tors. eta vs tors. theta energy: -20.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -226.065453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.065453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.065453 (E_RNA)
where:
Base-Base interactions energy: -153.616
where: short stacking energy: -70.665
Base-Backbone interact. energy: -0.021
local terms energy: -72.428666
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -12.137
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -12.143
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: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -179.508916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.508916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.508916 (E_RNA)
where:
Base-Base interactions energy: -113.788
where: short stacking energy: -54.658
Base-Backbone interact. energy: -0.183
local terms energy: -65.537671
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -8.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -185.316320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.316320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.316320 (E_RNA)
where:
Base-Base interactions energy: -115.906
where: short stacking energy: -62.059
Base-Backbone interact. energy: -0.002
local terms energy: -69.408283
where:
bonds (distance) C4'-P energy: -10.493
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -15.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -167.446247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.446247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.446247 (E_RNA)
where:
Base-Base interactions energy: -106.550
where: short stacking energy: -43.455
Base-Backbone interact. energy: -0.002
local terms energy: -60.894440
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -12.203
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -10.958
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: 9
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -85.840654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.840654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.840654 (E_RNA)
where:
Base-Base interactions energy: -40.427
where: short stacking energy: -31.156
Base-Backbone interact. energy: 0.455
local terms energy: -45.868157
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -11.151
flat angles P-C4'-P energy: -7.945
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: 8, replica: 3
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -104.860303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.860303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.860303 (E_RNA)
where:
Base-Base interactions energy: -56.391
where: short stacking energy: -23.146
Base-Backbone interact. energy: -0.631
local terms energy: -47.838118
where:
bonds (distance) C4'-P energy: -13.113
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -8.905
flat angles P-C4'-P energy: -10.205
tors. eta vs tors. theta energy: -0.896
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: 9, replica: 8
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -94.427574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.427574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.427574 (E_RNA)
where:
Base-Base interactions energy: -46.607
where: short stacking energy: -38.333
Base-Backbone interact. energy: -0.195
local terms energy: -47.625488
where:
bonds (distance) C4'-P energy: -8.542
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -5.989
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -2.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -87.214251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.214251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.214251 (E_RNA)
where:
Base-Base interactions energy: -47.272
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.191
local terms energy: -39.750562
where:
bonds (distance) C4'-P energy: -8.211
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: 0.083
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: 10
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -229.172503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172503 (E_RNA)
where:
Base-Base interactions energy: -149.904
where: short stacking energy: -70.899
Base-Backbone interact. energy: -0.385
local terms energy: -78.883648
where:
bonds (distance) C4'-P energy: -10.732
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -13.274
tors. eta vs tors. theta energy: -21.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -225.827961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.827961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.827961 (E_RNA)
where:
Base-Base interactions energy: -150.439
where: short stacking energy: -69.144
Base-Backbone interact. energy: -0.220
local terms energy: -75.168212
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -12.896
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -17.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -226.605860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.605860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.605860 (E_RNA)
where:
Base-Base interactions energy: -146.475
where: short stacking energy: -71.171
Base-Backbone interact. energy: -0.624
local terms energy: -79.506727
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -20.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -178.102699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.102699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.102699 (E_RNA)
where:
Base-Base interactions energy: -113.390
where: short stacking energy: -51.278
Base-Backbone interact. energy: -0.039
local terms energy: -64.674313
where:
bonds (distance) C4'-P energy: -12.545
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -5.453
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: 5, replica: 1
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -182.925196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.925196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.925196 (E_RNA)
where:
Base-Base interactions energy: -120.517
where: short stacking energy: -53.361
Base-Backbone interact. energy: -0.012
local terms energy: -62.395862
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -12.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -175.251240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.251240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.251240 (E_RNA)
where:
Base-Base interactions energy: -110.925
where: short stacking energy: -53.173
Base-Backbone interact. energy: -0.368
local terms energy: -63.958145
where:
bonds (distance) C4'-P energy: -11.284
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -7.113
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: 7, replica: 9
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -94.751593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.751593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.751593 (E_RNA)
where:
Base-Base interactions energy: -39.858
where: short stacking energy: -39.858
Base-Backbone interact. energy: 0.643
local terms energy: -55.537136
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -6.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -77.361834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.361834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.361834 (E_RNA)
where:
Base-Base interactions energy: -20.243
where: short stacking energy: -20.243
Base-Backbone interact. energy: -0.131
local terms energy: -56.987346
where:
bonds (distance) C4'-P energy: -11.806
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -3.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -120.760185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.760185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.760185 (E_RNA)
where:
Base-Base interactions energy: -70.502
where: short stacking energy: -36.799
Base-Backbone interact. energy: -0.380
local terms energy: -49.878881
where:
bonds (distance) C4'-P energy: -11.729
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -11.513
flat angles P-C4'-P energy: -4.889
tors. eta vs tors. theta energy: -5.361
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: 5
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -74.962909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.962909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.962909 (E_RNA)
where:
Base-Base interactions energy: -27.584
where: short stacking energy: -27.584
Base-Backbone interact. energy: -0.216
local terms energy: -47.162950
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -11.895
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -0.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -226.449417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.449417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.449417 (E_RNA)
where:
Base-Base interactions energy: -155.001
where: short stacking energy: -75.895
Base-Backbone interact. energy: -0.541
local terms energy: -70.907794
where:
bonds (distance) C4'-P energy: -10.302
bonds (distance) P-C4' energy: -13.577
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.658
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: 2, replica: 2
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -220.505346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.505346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.505346 (E_RNA)
where:
Base-Base interactions energy: -145.108
where: short stacking energy: -68.056
Base-Backbone interact. energy: 1.333
local terms energy: -76.730696
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -15.912
flat angles P-C4'-P energy: -12.508
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: 3, replica: 7
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -228.685446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.685446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.685446 (E_RNA)
where:
Base-Base interactions energy: -151.378
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.880
local terms energy: -76.427438
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -10.407
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: 4, replica: 4
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -193.095959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.095959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.095959 (E_RNA)
where:
Base-Base interactions energy: -126.883
where: short stacking energy: -66.599
Base-Backbone interact. energy: -0.009
local terms energy: -66.204008
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -16.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -183.505168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.505168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.505168 (E_RNA)
where:
Base-Base interactions energy: -120.759
where: short stacking energy: -62.817
Base-Backbone interact. energy: -0.013
local terms energy: -62.733446
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -13.042
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: 1
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -167.312817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.312817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.312817 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -44.633
Base-Backbone interact. energy: -0.350
local terms energy: -53.392269
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -15.281
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -4.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -89.236354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.236354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.236354 (E_RNA)
where:
Base-Base interactions energy: -40.911
where: short stacking energy: -33.397
Base-Backbone interact. energy: -0.448
local terms energy: -47.877664
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -71.274389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.274389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.274389 (E_RNA)
where:
Base-Base interactions energy: -31.563
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.046
local terms energy: -39.665147
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -3.765
tors. eta vs tors. theta energy: 2.888
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: 5
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -73.497493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.497493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.497493 (E_RNA)
where:
Base-Base interactions energy: -25.173
where: short stacking energy: -17.784
Base-Backbone interact. energy: -0.053
local terms energy: -48.272100
where:
bonds (distance) C4'-P energy: -10.393
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -1.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -82.787695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.787695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.787695 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -19.595
Base-Backbone interact. energy: -0.986
local terms energy: -38.100861
where:
bonds (distance) C4'-P energy: -8.565
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -9.545
flat angles P-C4'-P energy: -7.613
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: 1, replica: 10
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -232.086405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.086405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.086405 (E_RNA)
where:
Base-Base interactions energy: -147.662
where: short stacking energy: -70.453
Base-Backbone interact. energy: -0.098
local terms energy: -84.325923
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -18.837
flat angles P-C4'-P energy: -12.290
tors. eta vs tors. theta energy: -21.417
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: 2
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -229.590977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.590977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.590977 (E_RNA)
where:
Base-Base interactions energy: -150.178
where: short stacking energy: -73.319
Base-Backbone interact. energy: -0.362
local terms energy: -79.051044
where:
bonds (distance) C4'-P energy: -16.785
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -21.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -218.228679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.228679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.228679 (E_RNA)
where:
Base-Base interactions energy: -138.611
where: short stacking energy: -70.797
Base-Backbone interact. energy: -0.575
local terms energy: -79.042517
where:
bonds (distance) C4'-P energy: -17.436
bonds (distance) P-C4' energy: -14.761
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -19.273
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: 6
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -196.787989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.787989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.787989 (E_RNA)
where:
Base-Base interactions energy: -125.409
where: short stacking energy: -62.425
Base-Backbone interact. energy: -0.510
local terms energy: -70.869474
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.326
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -180.583160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.583160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.583160 (E_RNA)
where:
Base-Base interactions energy: -128.734
where: short stacking energy: -54.058
Base-Backbone interact. energy: -0.334
local terms energy: -51.515555
where:
bonds (distance) C4'-P energy: -11.146
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: 1.911
tors. eta vs tors. theta energy: -15.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -168.210629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.210629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.210629 (E_RNA)
where:
Base-Base interactions energy: -112.672
where: short stacking energy: -53.574
Base-Backbone interact. energy: -0.013
local terms energy: -55.525187
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -9.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -82.427198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.427198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.427198 (E_RNA)
where:
Base-Base interactions energy: -29.982
where: short stacking energy: -29.982
Base-Backbone interact. energy: -0.076
local terms energy: -52.369979
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -11.757
flat angles C4'-P-C4' energy: -16.479
flat angles P-C4'-P energy: -7.131
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -83.072978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072978 (E_RNA)
where:
Base-Base interactions energy: -27.431
where: short stacking energy: -27.431
Base-Backbone interact. energy: -0.103
local terms energy: -55.538360
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -12.252
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: 9, replica: 9
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -74.229263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.229263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.229263 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -23.710
Base-Backbone interact. energy: -0.479
local terms energy: -34.845297
where:
bonds (distance) C4'-P energy: -12.065
bonds (distance) P-C4' energy: -9.227
flat angles C4'-P-C4' energy: -12.555
flat angles P-C4'-P energy: -4.481
tors. eta vs tors. theta energy: 3.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -73.408585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.408585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.408585 (E_RNA)
where:
Base-Base interactions energy: -23.645
where: short stacking energy: -23.645
Base-Backbone interact. energy: -0.621
local terms energy: -49.142924
where:
bonds (distance) C4'-P energy: -13.750
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -4.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -230.330239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.330239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.330239 (E_RNA)
where:
Base-Base interactions energy: -147.880
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.000
local terms energy: -82.449956
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -24.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -226.066941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.066941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.066941 (E_RNA)
where:
Base-Base interactions energy: -151.611
where: short stacking energy: -77.304
Base-Backbone interact. energy: -0.043
local terms energy: -74.412170
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -13.583
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -206.529965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.529965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.529965 (E_RNA)
where:
Base-Base interactions energy: -135.329
where: short stacking energy: -69.179
Base-Backbone interact. energy: -1.193
local terms energy: -70.007463
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -9.636
flat angles C4'-P-C4' energy: -14.271
flat angles P-C4'-P energy: -11.531
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -187.566491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.566491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.566491 (E_RNA)
where:
Base-Base interactions energy: -129.423
where: short stacking energy: -60.136
Base-Backbone interact. energy: -0.015
local terms energy: -58.128167
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -12.164
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -15.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -189.638040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.638040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.638040 (E_RNA)
where:
Base-Base interactions energy: -128.792
where: short stacking energy: -51.913
Base-Backbone interact. energy: -0.136
local terms energy: -60.709958
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -10.232
tors. eta vs tors. theta energy: -8.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -182.449803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.449803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.449803 (E_RNA)
where:
Base-Base interactions energy: -111.001
where: short stacking energy: -53.475
Base-Backbone interact. energy: -0.045
local terms energy: -71.403728
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -14.592
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: 250
Temperature: 1.200000
Total energy: -133.126309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.126309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.126309 (E_RNA)
where:
Base-Base interactions energy: -82.285
where: short stacking energy: -41.253
Base-Backbone interact. energy: 1.022
local terms energy: -51.863625
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.979
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -5.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -84.175293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.175293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.175293 (E_RNA)
where:
Base-Base interactions energy: -41.144
where: short stacking energy: -41.701
Base-Backbone interact. energy: 1.175
local terms energy: -44.207133
where:
bonds (distance) C4'-P energy: -12.634
bonds (distance) P-C4' energy: -10.780
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -6.806
tors. eta vs tors. theta energy: -4.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -87.073384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.073384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.073384 (E_RNA)
where:
Base-Base interactions energy: -28.232
where: short stacking energy: -28.232
Base-Backbone interact. energy: -0.205
local terms energy: -58.637013
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -9.764
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: 10, replica: 9
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -74.361341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.361341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.361341 (E_RNA)
where:
Base-Base interactions energy: -29.384
where: short stacking energy: -22.896
Base-Backbone interact. energy: -0.322
local terms energy: -44.655039
where:
bonds (distance) C4'-P energy: -10.992
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -13.484
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -0.626
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: 1, replica: 2
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -226.632925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.632925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.632925 (E_RNA)
where:
Base-Base interactions energy: -149.532
where: short stacking energy: -67.676
Base-Backbone interact. energy: -0.006
local terms energy: -77.094740
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -19.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -224.635656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.635656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.635656 (E_RNA)
where:
Base-Base interactions energy: -154.883
where: short stacking energy: -68.665
Base-Backbone interact. energy: -0.562
local terms energy: -69.191184
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -8.791
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -227.840534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.840534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.840534 (E_RNA)
where:
Base-Base interactions energy: -152.416
where: short stacking energy: -75.853
Base-Backbone interact. energy: -0.617
local terms energy: -74.807527
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -19.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -183.437852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.437852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.437852 (E_RNA)
where:
Base-Base interactions energy: -116.686
where: short stacking energy: -58.057
Base-Backbone interact. energy: -0.080
local terms energy: -66.671544
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -18.233
flat angles C4'-P-C4' energy: -12.492
flat angles P-C4'-P energy: -6.684
tors. eta vs tors. theta energy: -15.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -176.148789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.148789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.148789 (E_RNA)
where:
Base-Base interactions energy: -113.373
where: short stacking energy: -56.434
Base-Backbone interact. energy: -0.102
local terms energy: -62.672868
where:
bonds (distance) C4'-P energy: -13.659
bonds (distance) P-C4' energy: -12.691
flat angles C4'-P-C4' energy: -10.729
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -14.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -181.544371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.544371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.544371 (E_RNA)
where:
Base-Base interactions energy: -108.532
where: short stacking energy: -49.812
Base-Backbone interact. energy: 0.121
local terms energy: -73.133363
where:
bonds (distance) C4'-P energy: -15.986
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -12.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -173.150139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.150139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.150139 (E_RNA)
where:
Base-Base interactions energy: -112.448
where: short stacking energy: -53.891
Base-Backbone interact. energy: -0.069
local terms energy: -60.633184
where:
bonds (distance) C4'-P energy: -13.544
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -8.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -84.742528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.742528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.742528 (E_RNA)
where:
Base-Base interactions energy: -33.486
where: short stacking energy: -33.259
Base-Backbone interact. energy: -0.212
local terms energy: -51.044649
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -9.757
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: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -80.446436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.446436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.446436 (E_RNA)
where:
Base-Base interactions energy: -27.034
where: short stacking energy: -23.525
Base-Backbone interact. energy: -0.029
local terms energy: -53.383377
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -6.972
tors. eta vs tors. theta energy: -3.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -84.699654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.699654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.699654 (E_RNA)
where:
Base-Base interactions energy: -33.786
where: short stacking energy: -33.052
Base-Backbone interact. energy: -0.529
local terms energy: -50.384966
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -12.503
flat angles P-C4'-P energy: -4.374
tors. eta vs tors. theta energy: -6.040
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: 7
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -233.899340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.899340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.899340 (E_RNA)
where:
Base-Base interactions energy: -160.653
where: short stacking energy: -80.846
Base-Backbone interact. energy: -0.000
local terms energy: -73.246163
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -11.018
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.345
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: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -227.933388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.933388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.933388 (E_RNA)
where:
Base-Base interactions energy: -147.233
where: short stacking energy: -70.913
Base-Backbone interact. energy: 0.632
local terms energy: -81.332688
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -22.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -196.815349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.815349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.815349 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -54.007
Base-Backbone interact. energy: 1.248
local terms energy: -68.885694
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -15.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -224.848527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.848527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.848527 (E_RNA)
where:
Base-Base interactions energy: -149.115
where: short stacking energy: -70.002
Base-Backbone interact. energy: -0.004
local terms energy: -75.728953
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -11.730
flat angles C4'-P-C4' energy: -15.750
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -23.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -187.786009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.786009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.786009 (E_RNA)
where:
Base-Base interactions energy: -118.196
where: short stacking energy: -58.622
Base-Backbone interact. energy: 0.066
local terms energy: -69.656008
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -10.696
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -12.961
tors. eta vs tors. theta energy: -18.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -164.978489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.978489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.978489 (E_RNA)
where:
Base-Base interactions energy: -99.963
where: short stacking energy: -49.964
Base-Backbone interact. energy: -0.035
local terms energy: -64.980879
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.818
tors. eta vs tors. theta energy: -8.579
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: 7, replica: 1
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -171.908381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.908381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.908381 (E_RNA)
where:
Base-Base interactions energy: -107.823
where: short stacking energy: -46.862
Base-Backbone interact. energy: 0.715
local terms energy: -64.800477
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -11.133
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: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -91.744972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.744972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.744972 (E_RNA)
where:
Base-Base interactions energy: -41.130
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.026
local terms energy: -50.589601
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -7.211
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -7.525
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: 9, replica: 9
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -108.816811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.816811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.816811 (E_RNA)
where:
Base-Base interactions energy: -46.269
where: short stacking energy: -40.465
Base-Backbone interact. energy: -0.074
local terms energy: -62.473966
where:
bonds (distance) C4'-P energy: -12.169
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -6.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -80.738334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.738334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.738334 (E_RNA)
where:
Base-Base interactions energy: -34.282
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.164
local terms energy: -46.292629
where:
bonds (distance) C4'-P energy: -13.043
bonds (distance) P-C4' energy: -14.446
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -0.708
tors. eta vs tors. theta energy: -3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -226.283483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.283483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.283483 (E_RNA)
where:
Base-Base interactions energy: -149.850
where: short stacking energy: -71.152
Base-Backbone interact. energy: -0.000
local terms energy: -76.433451
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -20.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -222.520795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.520795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.520795 (E_RNA)
where:
Base-Base interactions energy: -149.489
where: short stacking energy: -72.989
Base-Backbone interact. energy: -0.001
local terms energy: -73.030869
where:
bonds (distance) C4'-P energy: -14.476
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -21.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -192.901046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.901046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.901046 (E_RNA)
where:
Base-Base interactions energy: -116.910
where: short stacking energy: -62.113
Base-Backbone interact. energy: -0.656
local terms energy: -75.335053
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -218.860413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.860413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.860413 (E_RNA)
where:
Base-Base interactions energy: -140.391
where: short stacking energy: -56.162
Base-Backbone interact. energy: -0.494
local terms energy: -77.975048
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -18.626
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: 5
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -189.019102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.019102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.019102 (E_RNA)
where:
Base-Base interactions energy: -119.076
where: short stacking energy: -60.517
Base-Backbone interact. energy: -0.082
local terms energy: -69.860354
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -15.076
flat angles P-C4'-P energy: -6.880
tors. eta vs tors. theta energy: -18.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -178.197047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.197047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.197047 (E_RNA)
where:
Base-Base interactions energy: -117.715
where: short stacking energy: -48.946
Base-Backbone interact. energy: -0.256
local terms energy: -60.225743
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -13.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -157.788881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.788881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.788881 (E_RNA)
where:
Base-Base interactions energy: -101.686
where: short stacking energy: -48.037
Base-Backbone interact. energy: -0.062
local terms energy: -56.040479
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -16.664
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -6.099
tors. eta vs tors. theta energy: -8.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -99.169401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.169401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.169401 (E_RNA)
where:
Base-Base interactions energy: -64.003
where: short stacking energy: -35.398
Base-Backbone interact. energy: 1.190
local terms energy: -36.356109
where:
bonds (distance) C4'-P energy: -11.342
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -5.009
flat angles P-C4'-P energy: -4.715
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -85.440077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.440077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.440077 (E_RNA)
where:
Base-Base interactions energy: -38.056
where: short stacking energy: -38.056
Base-Backbone interact. energy: -0.386
local terms energy: -46.997997
where:
bonds (distance) C4'-P energy: -11.673
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -5.733
tors. eta vs tors. theta energy: -2.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -81.508421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.508421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.508421 (E_RNA)
where:
Base-Base interactions energy: -35.055
where: short stacking energy: -27.890
Base-Backbone interact. energy: -0.024
local terms energy: -46.429496
where:
bonds (distance) C4'-P energy: -9.735
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -227.253325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.253325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.253325 (E_RNA)
where:
Base-Base interactions energy: -145.370
where: short stacking energy: -66.190
Base-Backbone interact. energy: -0.061
local terms energy: -81.822467
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -21.031
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: 7
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -226.197705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.197705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.197705 (E_RNA)
where:
Base-Base interactions energy: -153.477
where: short stacking energy: -76.873
Base-Backbone interact. energy: -0.043
local terms energy: -72.677149
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -23.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -216.831981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.831981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.831981 (E_RNA)
where:
Base-Base interactions energy: -144.967
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.000
local terms energy: -71.865078
where:
bonds (distance) C4'-P energy: -12.853
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -11.375
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: 6
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -187.924919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.924919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.924919 (E_RNA)
where:
Base-Base interactions energy: -126.286
where: short stacking energy: -63.119
Base-Backbone interact. energy: -0.473
local terms energy: -61.165645
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.100
tors. eta vs tors. theta energy: -17.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -192.589802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.589802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.589802 (E_RNA)
where:
Base-Base interactions energy: -128.790
where: short stacking energy: -65.555
Base-Backbone interact. energy: -0.029
local terms energy: -63.770724
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -13.197
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -5.250
tors. eta vs tors. theta energy: -14.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -176.023645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.023645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.023645 (E_RNA)
where:
Base-Base interactions energy: -113.386
where: short stacking energy: -53.881
Base-Backbone interact. energy: -0.113
local terms energy: -62.525122
where:
bonds (distance) C4'-P energy: -12.394
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -8.214
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: 7, replica: 4
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -179.026824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.026824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.026824 (E_RNA)
where:
Base-Base interactions energy: -117.611
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.035
local terms energy: -61.381416
where:
bonds (distance) C4'-P energy: -10.829
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.292
tors. eta vs tors. theta energy: -13.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -84.788533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.788533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.788533 (E_RNA)
where:
Base-Base interactions energy: -34.383
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.130
local terms energy: -50.275045
where:
bonds (distance) C4'-P energy: -10.428
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -8.745
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: 9, replica: 8
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -84.885680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.885680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.885680 (E_RNA)
where:
Base-Base interactions energy: -27.827
where: short stacking energy: -22.734
Base-Backbone interact. energy: -0.023
local terms energy: -57.035366
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.184
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -4.025
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: 254
Temperature: 1.350000
Total energy: -87.556525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.556525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.556525 (E_RNA)
where:
Base-Base interactions energy: -36.754
where: short stacking energy: -36.635
Base-Backbone interact. energy: -0.002
local terms energy: -50.800349
where:
bonds (distance) C4'-P energy: -9.897
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -9.901
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -230.610116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.610116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.610116 (E_RNA)
where:
Base-Base interactions energy: -147.291
where: short stacking energy: -74.677
Base-Backbone interact. energy: -0.002
local terms energy: -83.317264
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -18.218
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -22.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -225.004978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.004978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.004978 (E_RNA)
where:
Base-Base interactions energy: -149.070
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.340
local terms energy: -75.595921
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -18.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -226.171190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.171190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.171190 (E_RNA)
where:
Base-Base interactions energy: -148.433
where: short stacking energy: -72.256
Base-Backbone interact. energy: -0.157
local terms energy: -77.581120
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -21.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -188.172427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.172427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.172427 (E_RNA)
where:
Base-Base interactions energy: -124.094
where: short stacking energy: -56.655
Base-Backbone interact. energy: -0.126
local terms energy: -63.953316
where:
bonds (distance) C4'-P energy: -16.148
bonds (distance) P-C4' energy: -11.561
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -10.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -196.543760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.543760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.543760 (E_RNA)
where:
Base-Base interactions energy: -130.287
where: short stacking energy: -61.873
Base-Backbone interact. energy: -0.150
local terms energy: -66.106203
where:
bonds (distance) C4'-P energy: -15.257
bonds (distance) P-C4' energy: -11.194
flat angles C4'-P-C4' energy: -14.601
flat angles P-C4'-P energy: -8.945
tors. eta vs tors. theta energy: -16.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -182.069012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.069012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.069012 (E_RNA)
where:
Base-Base interactions energy: -118.017
where: short stacking energy: -60.962
Base-Backbone interact. energy: -0.182
local terms energy: -63.869645
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -14.976
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: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -173.130648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.130648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.130648 (E_RNA)
where:
Base-Base interactions energy: -104.952
where: short stacking energy: -46.218
Base-Backbone interact. energy: 0.125
local terms energy: -68.303727
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -12.452
flat angles C4'-P-C4' energy: -15.434
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -14.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -82.374327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.374327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.374327 (E_RNA)
where:
Base-Base interactions energy: -34.581
where: short stacking energy: -25.266
Base-Backbone interact. energy: -0.579
local terms energy: -47.214874
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: 2.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -85.423068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.423068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.423068 (E_RNA)
where:
Base-Base interactions energy: -31.158
where: short stacking energy: -26.230
Base-Backbone interact. energy: -0.099
local terms energy: -54.166084
where:
bonds (distance) C4'-P energy: -12.511
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -6.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -78.900823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.900823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.900823 (E_RNA)
where:
Base-Base interactions energy: -32.087
where: short stacking energy: -23.496
Base-Backbone interact. energy: 0.825
local terms energy: -47.638867
where:
bonds (distance) C4'-P energy: -10.580
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: 1.725
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: 10
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -225.363292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.363292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.363292 (E_RNA)
where:
Base-Base interactions energy: -152.996
where: short stacking energy: -72.200
Base-Backbone interact. energy: -0.004
local terms energy: -72.363639
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -12.744
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -23.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -227.569961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.569961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.569961 (E_RNA)
where:
Base-Base interactions energy: -147.881
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.240
local terms energy: -79.448005
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -18.197
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -19.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -193.811909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.811909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.811909 (E_RNA)
where:
Base-Base interactions energy: -124.984
where: short stacking energy: -62.006
Base-Backbone interact. energy: -0.014
local terms energy: -68.814209
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -16.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -218.198390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.198390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.198390 (E_RNA)
where:
Base-Base interactions energy: -140.976
where: short stacking energy: -64.309
Base-Backbone interact. energy: -0.280
local terms energy: -76.942617
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -14.304
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -18.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -185.145323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.145323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.145323 (E_RNA)
where:
Base-Base interactions energy: -119.430
where: short stacking energy: -51.355
Base-Backbone interact. energy: -0.107
local terms energy: -65.608455
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -13.000
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -177.328786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.328786 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -44.925
Base-Backbone interact. energy: -0.122
local terms energy: -65.346785
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -12.300
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -10.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -174.052553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.052553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.052553 (E_RNA)
where:
Base-Base interactions energy: -111.958
where: short stacking energy: -48.475
Base-Backbone interact. energy: 1.022
local terms energy: -63.117456
where:
bonds (distance) C4'-P energy: -13.154
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -13.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -97.362405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.362405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.362405 (E_RNA)
where:
Base-Base interactions energy: -53.536
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.150
local terms energy: -43.676768
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -15.700
flat angles C4'-P-C4' energy: -11.907
flat angles P-C4'-P energy: -0.702
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -89.618811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.618811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.618811 (E_RNA)
where:
Base-Base interactions energy: -35.273
where: short stacking energy: -33.467
Base-Backbone interact. energy: 0.129
local terms energy: -54.475699
where:
bonds (distance) C4'-P energy: -17.282
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -10.296
flat angles P-C4'-P energy: -8.429
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: 10, replica: 9
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -72.575756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.575756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.575756 (E_RNA)
where:
Base-Base interactions energy: -22.248
where: short stacking energy: -18.726
Base-Backbone interact. energy: 2.098
local terms energy: -52.426376
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -8.960
tors. eta vs tors. theta energy: 0.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -225.966023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.966023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.966023 (E_RNA)
where:
Base-Base interactions energy: -149.237
where: short stacking energy: -70.907
Base-Backbone interact. energy: -0.308
local terms energy: -76.421215
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -22.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -199.128707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.128707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.128707 (E_RNA)
where:
Base-Base interactions energy: -126.940
where: short stacking energy: -62.157
Base-Backbone interact. energy: -0.150
local terms energy: -72.038679
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -14.020
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -19.206
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: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -219.881336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.881336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.881336 (E_RNA)
where:
Base-Base interactions energy: -146.314
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.001
local terms energy: -73.566138
where:
bonds (distance) C4'-P energy: -11.716
bonds (distance) P-C4' energy: -16.869
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -19.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -221.649156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.649156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.649156 (E_RNA)
where:
Base-Base interactions energy: -145.510
where: short stacking energy: -74.358
Base-Backbone interact. energy: -0.052
local terms energy: -76.086638
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -9.569
tors. eta vs tors. theta energy: -20.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -178.928883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.928883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.928883 (E_RNA)
where:
Base-Base interactions energy: -109.034
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.010
local terms energy: -69.884971
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.948
tors. eta vs tors. theta energy: -16.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -162.597882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.597882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.597882 (E_RNA)
where:
Base-Base interactions energy: -104.140
where: short stacking energy: -55.990
Base-Backbone interact. energy: -0.051
local terms energy: -58.407057
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -15.364
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -8.002
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: 4
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -170.909898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.909898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.909898 (E_RNA)
where:
Base-Base interactions energy: -109.106
where: short stacking energy: -49.166
Base-Backbone interact. energy: -0.123
local terms energy: -61.681028
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -15.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -90.700704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.700704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.700704 (E_RNA)
where:
Base-Base interactions energy: -35.924
where: short stacking energy: -23.078
Base-Backbone interact. energy: -0.096
local terms energy: -54.680648
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -0.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -92.974228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.974228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.974228 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -35.415
Base-Backbone interact. energy: -0.309
local terms energy: -50.233661
where:
bonds (distance) C4'-P energy: -10.132
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -81.403995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.403995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.403995 (E_RNA)
where:
Base-Base interactions energy: -25.550
where: short stacking energy: -25.550
Base-Backbone interact. energy: 1.287
local terms energy: -57.141237
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.050
tors. eta vs tors. theta energy: -3.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -226.767227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.767227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.767227 (E_RNA)
where:
Base-Base interactions energy: -150.579
where: short stacking energy: -68.740
Base-Backbone interact. energy: -1.226
local terms energy: -74.962343
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -9.710
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -20.392
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: 6
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -202.875029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.875029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.875029 (E_RNA)
where:
Base-Base interactions energy: -132.907
where: short stacking energy: -64.744
Base-Backbone interact. energy: -0.399
local terms energy: -69.568595
where:
bonds (distance) C4'-P energy: -11.490
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -222.252381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.252381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.252381 (E_RNA)
where:
Base-Base interactions energy: -145.276
where: short stacking energy: -64.923
Base-Backbone interact. energy: -0.226
local terms energy: -76.750155
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -11.928
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: 4, replica: 7
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -210.311607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.311607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.311607 (E_RNA)
where:
Base-Base interactions energy: -134.577
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.645
local terms energy: -75.089800
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -12.769
tors. eta vs tors. theta energy: -19.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -175.496950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.496950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.496950 (E_RNA)
where:
Base-Base interactions energy: -117.791
where: short stacking energy: -57.862
Base-Backbone interact. energy: -0.459
local terms energy: -57.247255
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -1.383
tors. eta vs tors. theta energy: -15.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -173.818473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.818473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.818473 (E_RNA)
where:
Base-Base interactions energy: -114.017
where: short stacking energy: -49.751
Base-Backbone interact. energy: -0.005
local terms energy: -59.796402
where:
bonds (distance) C4'-P energy: -6.154
bonds (distance) P-C4' energy: -14.991
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -7.507
tors. eta vs tors. theta energy: -16.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -182.697026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.697026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.697026 (E_RNA)
where:
Base-Base interactions energy: -111.505
where: short stacking energy: -52.419
Base-Backbone interact. energy: -1.506
local terms energy: -69.685313
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -11.935
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -18.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -92.087213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.087213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.087213 (E_RNA)
where:
Base-Base interactions energy: -45.787
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.165
local terms energy: -46.135013
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -4.593
tors. eta vs tors. theta energy: 2.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -94.225320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225320 (E_RNA)
where:
Base-Base interactions energy: -46.831
where: short stacking energy: -26.056
Base-Backbone interact. energy: -0.459
local terms energy: -46.935455
where:
bonds (distance) C4'-P energy: -12.930
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -14.558
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: 1.533
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: 10, replica: 3
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -75.408667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.408667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.408667 (E_RNA)
where:
Base-Base interactions energy: -29.926
where: short stacking energy: -25.658
Base-Backbone interact. energy: -0.115
local terms energy: -45.367834
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -14.016
flat angles P-C4'-P energy: -7.264
tors. eta vs tors. theta energy: 2.179
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: 10
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -231.494879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.494879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.494879 (E_RNA)
where:
Base-Base interactions energy: -153.308
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.943
local terms energy: -77.243514
where:
bonds (distance) C4'-P energy: -12.214
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -22.115
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: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -214.139924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.139924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.139924 (E_RNA)
where:
Base-Base interactions energy: -142.637
where: short stacking energy: -59.002
Base-Backbone interact. energy: -2.088
local terms energy: -69.414707
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -14.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -213.307808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.307808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.307808 (E_RNA)
where:
Base-Base interactions energy: -144.414
where: short stacking energy: -70.520
Base-Backbone interact. energy: 0.071
local terms energy: -68.964423
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -14.840
flat angles C4'-P-C4' energy: -13.924
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -212.381003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.381003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.381003 (E_RNA)
where:
Base-Base interactions energy: -135.644
where: short stacking energy: -63.781
Base-Backbone interact. energy: 0.808
local terms energy: -77.545430
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -9.965
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: 1
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -184.514444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.514444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514444 (E_RNA)
where:
Base-Base interactions energy: -117.744
where: short stacking energy: -52.040
Base-Backbone interact. energy: -0.720
local terms energy: -66.049826
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -14.718
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -11.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -182.881738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.881738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.881738 (E_RNA)
where:
Base-Base interactions energy: -121.414
where: short stacking energy: -61.761
Base-Backbone interact. energy: -0.025
local terms energy: -61.442357
where:
bonds (distance) C4'-P energy: -11.881
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -5.712
tors. eta vs tors. theta energy: -17.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -174.687175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.687175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.687175 (E_RNA)
where:
Base-Base interactions energy: -122.763
where: short stacking energy: -53.860
Base-Backbone interact. energy: -0.173
local terms energy: -51.751189
where:
bonds (distance) C4'-P energy: -10.254
bonds (distance) P-C4' energy: -10.272
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -5.533
tors. eta vs tors. theta energy: -12.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -94.765342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.765342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.765342 (E_RNA)
where:
Base-Base interactions energy: -43.228
where: short stacking energy: -32.184
Base-Backbone interact. energy: -0.713
local terms energy: -50.824550
where:
bonds (distance) C4'-P energy: -15.337
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: 3.055
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: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -83.040819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.040819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.040819 (E_RNA)
where:
Base-Base interactions energy: -35.088
where: short stacking energy: -18.263
Base-Backbone interact. energy: -0.406
local terms energy: -47.546503
where:
bonds (distance) C4'-P energy: -14.405
bonds (distance) P-C4' energy: -10.573
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: 0.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -97.755830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.755830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.755830 (E_RNA)
where:
Base-Base interactions energy: -47.691
where: short stacking energy: -27.169
Base-Backbone interact. energy: -0.190
local terms energy: -49.875029
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -0.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -217.273239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.273239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.273239 (E_RNA)
where:
Base-Base interactions energy: -147.007
where: short stacking energy: -57.577
Base-Backbone interact. energy: 0.185
local terms energy: -70.450864
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -14.109
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -14.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -228.313790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.313790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.313790 (E_RNA)
where:
Base-Base interactions energy: -148.820
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.022
local terms energy: -79.471806
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -17.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -211.313047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.313047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.313047 (E_RNA)
where:
Base-Base interactions energy: -138.605
where: short stacking energy: -64.864
Base-Backbone interact. energy: -0.007
local terms energy: -72.701697
where:
bonds (distance) C4'-P energy: -16.503
bonds (distance) P-C4' energy: -6.781
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -12.774
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: 7
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -216.807211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.807211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.807211 (E_RNA)
where:
Base-Base interactions energy: -143.816
where: short stacking energy: -68.240
Base-Backbone interact. energy: 0.048
local terms energy: -73.039433
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -18.492
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: 5, replica: 1
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -193.694315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.694315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.694315 (E_RNA)
where:
Base-Base interactions energy: -128.115
where: short stacking energy: -59.021
Base-Backbone interact. energy: -1.092
local terms energy: -64.487225
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -14.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -177.467921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.467921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.467921 (E_RNA)
where:
Base-Base interactions energy: -114.206
where: short stacking energy: -55.257
Base-Backbone interact. energy: -0.004
local terms energy: -63.257852
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -11.931
flat angles C4'-P-C4' energy: -13.276
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -15.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -175.125030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.125030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.125030 (E_RNA)
where:
Base-Base interactions energy: -114.192
where: short stacking energy: -46.961
Base-Backbone interact. energy: -0.136
local terms energy: -60.796055
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -8.081
tors. eta vs tors. theta energy: -11.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -82.967380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.967380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.967380 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -29.608
Base-Backbone interact. energy: -0.050
local terms energy: -48.735953
where:
bonds (distance) C4'-P energy: -16.413
bonds (distance) P-C4' energy: -13.777
flat angles C4'-P-C4' energy: -8.096
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: -5.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -94.175980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.175980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.175980 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -22.315
Base-Backbone interact. energy: -0.502
local terms energy: -56.869033
where:
bonds (distance) C4'-P energy: -12.095
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -11.229
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: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -78.385521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.385521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.385521 (E_RNA)
where:
Base-Base interactions energy: -21.885
where: short stacking energy: -21.002
Base-Backbone interact. energy: -0.211
local terms energy: -56.289371
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.053
tors. eta vs tors. theta energy: -0.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -211.017682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.017682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.017682 (E_RNA)
where:
Base-Base interactions energy: -146.092
where: short stacking energy: -52.102
Base-Backbone interact. energy: -0.152
local terms energy: -64.773426
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -11.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -226.778121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.778121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.778121 (E_RNA)
where:
Base-Base interactions energy: -148.809
where: short stacking energy: -75.650
Base-Backbone interact. energy: -0.061
local terms energy: -77.908470
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.549
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -215.513622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.513622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.513622 (E_RNA)
where:
Base-Base interactions energy: -142.283
where: short stacking energy: -70.413
Base-Backbone interact. energy: -0.242
local terms energy: -72.988703
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -9.168
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: 4, replica: 7
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -212.364277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.364277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.364277 (E_RNA)
where:
Base-Base interactions energy: -135.491
where: short stacking energy: -59.271
Base-Backbone interact. energy: -0.006
local terms energy: -76.867899
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -188.993034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.993034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.993034 (E_RNA)
where:
Base-Base interactions energy: -125.302
where: short stacking energy: -57.720
Base-Backbone interact. energy: -0.012
local terms energy: -63.678973
where:
bonds (distance) C4'-P energy: -13.345
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -8.645
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -169.447121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.447121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.447121 (E_RNA)
where:
Base-Base interactions energy: -109.343
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.036
local terms energy: -60.068311
where:
bonds (distance) C4'-P energy: -8.326
bonds (distance) P-C4' energy: -13.449
flat angles C4'-P-C4' energy: -8.960
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -18.731
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: 261
Temperature: 1.200000
Total energy: -164.014873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.014873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.014873 (E_RNA)
where:
Base-Base interactions energy: -92.513
where: short stacking energy: -46.354
Base-Backbone interact. energy: -0.041
local terms energy: -71.461292
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -11.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -84.289658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.289658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.289658 (E_RNA)
where:
Base-Base interactions energy: -32.993
where: short stacking energy: -32.645
Base-Backbone interact. energy: -0.201
local terms energy: -51.095135
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -8.227
flat angles P-C4'-P energy: -8.978
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: 8
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -82.911036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.911036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.911036 (E_RNA)
where:
Base-Base interactions energy: -32.177
where: short stacking energy: -27.825
Base-Backbone interact. energy: -0.094
local terms energy: -50.640249
where:
bonds (distance) C4'-P energy: -10.125
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -4.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -76.022384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.022384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.022384 (E_RNA)
where:
Base-Base interactions energy: -30.431
where: short stacking energy: -22.193
Base-Backbone interact. energy: 0.127
local terms energy: -45.718225
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: 5.502
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: 1, replica: 10
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -233.619290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.619290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.619290 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.122
local terms energy: -76.501750
where:
bonds (distance) C4'-P energy: -12.185
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -22.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -217.785699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.785699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.785699 (E_RNA)
where:
Base-Base interactions energy: -147.897
where: short stacking energy: -55.769
Base-Backbone interact. energy: -0.129
local terms energy: -69.760472
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -14.281
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -4.972
tors. eta vs tors. theta energy: -16.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -223.576007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.576007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.576007 (E_RNA)
where:
Base-Base interactions energy: -145.644
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.001
local terms energy: -77.931166
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -9.448
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: 4, replica: 2
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -219.726570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.726570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.726570 (E_RNA)
where:
Base-Base interactions energy: -149.152
where: short stacking energy: -70.272
Base-Backbone interact. energy: -0.602
local terms energy: -69.972632
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -3.518
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: 5, replica: 4
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -195.209302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.209302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.209302 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -64.079
Base-Backbone interact. energy: -0.115
local terms energy: -66.401259
where:
bonds (distance) C4'-P energy: -9.308
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -177.669629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.669629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.669629 (E_RNA)
where:
Base-Base interactions energy: -122.646
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.336
local terms energy: -54.687522
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -9.419
flat angles P-C4'-P energy: -5.893
tors. eta vs tors. theta energy: -16.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -180.050070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.050070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.050070 (E_RNA)
where:
Base-Base interactions energy: -113.084
where: short stacking energy: -59.363
Base-Backbone interact. energy: -0.095
local terms energy: -66.870670
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -10.201
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -87.938684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.938684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.938684 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -34.192
Base-Backbone interact. energy: -0.208
local terms energy: -48.487911
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: 2.470
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: 8
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -78.481136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.481136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.481136 (E_RNA)
where:
Base-Base interactions energy: -37.622
where: short stacking energy: -25.347
Base-Backbone interact. energy: -0.144
local terms energy: -40.715427
where:
bonds (distance) C4'-P energy: -11.270
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -6.515
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: 262
Temperature: 1.350000
Total energy: -80.762065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.762065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.762065 (E_RNA)
where:
Base-Base interactions energy: -30.682
where: short stacking energy: -24.729
Base-Backbone interact. energy: -0.026
local terms energy: -50.053508
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -9.331
flat angles P-C4'-P energy: -9.653
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: 1, replica: 10
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -232.502383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.502383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.502383 (E_RNA)
where:
Base-Base interactions energy: -148.951
where: short stacking energy: -72.674
Base-Backbone interact. energy: -0.000
local terms energy: -83.551387
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -23.752
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: 6
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -205.463307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.463307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.463307 (E_RNA)
where:
Base-Base interactions energy: -142.686
where: short stacking energy: -57.616
Base-Backbone interact. energy: -0.216
local terms energy: -62.561917
where:
bonds (distance) C4'-P energy: -15.900
bonds (distance) P-C4' energy: -14.724
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -5.003
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -206.947357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.947357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.947357 (E_RNA)
where:
Base-Base interactions energy: -131.892
where: short stacking energy: -66.762
Base-Backbone interact. energy: -0.013
local terms energy: -75.042206
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -21.741
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: 263
Temperature: 1.050000
Total energy: -224.208525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.208525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.208525 (E_RNA)
where:
Base-Base interactions energy: -154.526
where: short stacking energy: -75.205
Base-Backbone interact. energy: -0.003
local terms energy: -69.679652
where:
bonds (distance) C4'-P energy: -10.298
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.140
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: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -182.877225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.877225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.877225 (E_RNA)
where:
Base-Base interactions energy: -115.958
where: short stacking energy: -45.722
Base-Backbone interact. energy: -1.170
local terms energy: -65.749567
where:
bonds (distance) C4'-P energy: -13.089
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -15.237
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -10.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -180.968638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.968638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.968638 (E_RNA)
where:
Base-Base interactions energy: -129.776
where: short stacking energy: -54.680
Base-Backbone interact. energy: -0.663
local terms energy: -50.529540
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -10.812
flat angles C4'-P-C4' energy: -13.243
flat angles P-C4'-P energy: -2.602
tors. eta vs tors. theta energy: -12.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -175.254384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.254384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.254384 (E_RNA)
where:
Base-Base interactions energy: -112.867
where: short stacking energy: -33.594
Base-Backbone interact. energy: -0.428
local terms energy: -61.960254
where:
bonds (distance) C4'-P energy: -16.040
bonds (distance) P-C4' energy: -13.650
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -8.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -79.706745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.706745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.706745 (E_RNA)
where:
Base-Base interactions energy: -36.421
where: short stacking energy: -28.984
Base-Backbone interact. energy: -0.833
local terms energy: -42.452919
where:
bonds (distance) C4'-P energy: -11.143
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -5.085
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -86.809545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.809545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.809545 (E_RNA)
where:
Base-Base interactions energy: -39.611
where: short stacking energy: -37.864
Base-Backbone interact. energy: -0.154
local terms energy: -47.044551
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -11.078
flat angles P-C4'-P energy: -3.274
tors. eta vs tors. theta energy: -2.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -84.560474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.560474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.560474 (E_RNA)
where:
Base-Base interactions energy: -25.779
where: short stacking energy: -25.085
Base-Backbone interact. energy: -0.160
local terms energy: -58.622202
where:
bonds (distance) C4'-P energy: -15.457
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -17.712
flat angles P-C4'-P energy: -9.664
tors. eta vs tors. theta energy: -3.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -231.789725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.789725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.789725 (E_RNA)
where:
Base-Base interactions energy: -155.106
where: short stacking energy: -74.585
Base-Backbone interact. energy: -0.402
local terms energy: -76.280895
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -10.430
tors. eta vs tors. theta energy: -19.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -200.459476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.459476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.459476 (E_RNA)
where:
Base-Base interactions energy: -132.945
where: short stacking energy: -53.757
Base-Backbone interact. energy: -0.948
local terms energy: -66.566832
where:
bonds (distance) C4'-P energy: -10.903
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -13.912
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: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -222.240139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.240139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.240139 (E_RNA)
where:
Base-Base interactions energy: -154.757
where: short stacking energy: -71.167
Base-Backbone interact. energy: -0.001
local terms energy: -67.481432
where:
bonds (distance) C4'-P energy: -10.179
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -8.076
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: 4, replica: 7
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -216.415498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.415498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.415498 (E_RNA)
where:
Base-Base interactions energy: -137.275
where: short stacking energy: -68.976
Base-Backbone interact. energy: -0.000
local terms energy: -79.140011
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -186.234486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.234486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.234486 (E_RNA)
where:
Base-Base interactions energy: -119.464
where: short stacking energy: -55.882
Base-Backbone interact. energy: -0.133
local terms energy: -66.636715
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -16.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -180.066535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.066535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.066535 (E_RNA)
where:
Base-Base interactions energy: -116.900
where: short stacking energy: -55.193
Base-Backbone interact. energy: -0.153
local terms energy: -63.013676
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -11.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -170.344377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.344377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.344377 (E_RNA)
where:
Base-Base interactions energy: -110.440
where: short stacking energy: -50.106
Base-Backbone interact. energy: 0.494
local terms energy: -60.398144
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -11.012
flat angles P-C4'-P energy: -2.971
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -78.563689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.563689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.563689 (E_RNA)
where:
Base-Base interactions energy: -32.420
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.102
local terms energy: -46.041273
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -12.225
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -1.243
tors. eta vs tors. theta energy: -8.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -74.138633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.138633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.138633 (E_RNA)
where:
Base-Base interactions energy: -28.424
where: short stacking energy: -28.424
Base-Backbone interact. energy: -0.479
local terms energy: -45.235907
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: 1.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -72.202435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.202435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.202435 (E_RNA)
where:
Base-Base interactions energy: -24.168
where: short stacking energy: -24.168
Base-Backbone interact. energy: -0.057
local terms energy: -47.977696
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -2.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -233.010035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.010035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.010035 (E_RNA)
where:
Base-Base interactions energy: -156.601
where: short stacking energy: -73.335
Base-Backbone interact. energy: -0.030
local terms energy: -76.379146
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -6.973
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: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -225.816288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.816288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.816288 (E_RNA)
where:
Base-Base interactions energy: -148.470
where: short stacking energy: -73.057
Base-Backbone interact. energy: -0.068
local terms energy: -77.278855
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -18.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -205.752917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.752917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.752917 (E_RNA)
where:
Base-Base interactions energy: -129.556
where: short stacking energy: -60.563
Base-Backbone interact. energy: -0.455
local terms energy: -75.741078
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -15.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -201.429562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.429562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.429562 (E_RNA)
where:
Base-Base interactions energy: -134.660
where: short stacking energy: -63.460
Base-Backbone interact. energy: -1.069
local terms energy: -65.701409
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.090
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -16.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -207.582931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.582931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.582931 (E_RNA)
where:
Base-Base interactions energy: -138.958
where: short stacking energy: -61.565
Base-Backbone interact. energy: -0.640
local terms energy: -67.985110
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.605
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -17.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -178.112381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.112381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.112381 (E_RNA)
where:
Base-Base interactions energy: -111.513
where: short stacking energy: -47.436
Base-Backbone interact. energy: -0.172
local terms energy: -66.427832
where:
bonds (distance) C4'-P energy: -10.100
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -9.206
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: 7, replica: 4
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -169.125491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.125491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.125491 (E_RNA)
where:
Base-Base interactions energy: -107.776
where: short stacking energy: -45.622
Base-Backbone interact. energy: -0.372
local terms energy: -60.977447
where:
bonds (distance) C4'-P energy: -11.837
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -16.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -83.418413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.418413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.418413 (E_RNA)
where:
Base-Base interactions energy: -37.858
where: short stacking energy: -35.410
Base-Backbone interact. energy: -0.125
local terms energy: -45.436049
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -86.231939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.231939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.231939 (E_RNA)
where:
Base-Base interactions energy: -39.886
where: short stacking energy: -39.289
Base-Backbone interact. energy: 0.513
local terms energy: -46.858803
where:
bonds (distance) C4'-P energy: -9.727
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -4.703
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: 10, replica: 3
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -69.737210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.737210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.737210 (E_RNA)
where:
Base-Base interactions energy: -28.740
where: short stacking energy: -24.702
Base-Backbone interact. energy: -0.160
local terms energy: -40.838002
where:
bonds (distance) C4'-P energy: -13.241
bonds (distance) P-C4' energy: -10.942
flat angles C4'-P-C4' energy: -8.775
flat angles P-C4'-P energy: -3.593
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: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -230.969172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.969172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.969172 (E_RNA)
where:
Base-Base interactions energy: -149.989
where: short stacking energy: -66.946
Base-Backbone interact. energy: -0.105
local terms energy: -80.875285
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -21.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -226.982514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.982514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.982514 (E_RNA)
where:
Base-Base interactions energy: -147.482
where: short stacking energy: -74.383
Base-Backbone interact. energy: -0.292
local terms energy: -79.209114
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -11.339
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: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -208.371233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.371233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.371233 (E_RNA)
where:
Base-Base interactions energy: -136.042
where: short stacking energy: -60.506
Base-Backbone interact. energy: 0.894
local terms energy: -73.223375
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -13.003
tors. eta vs tors. theta energy: -16.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -196.690061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.690061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.690061 (E_RNA)
where:
Base-Base interactions energy: -141.265
where: short stacking energy: -49.402
Base-Backbone interact. energy: -0.148
local terms energy: -55.276798
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.897
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -208.934828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.934828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.934828 (E_RNA)
where:
Base-Base interactions energy: -131.559
where: short stacking energy: -61.047
Base-Backbone interact. energy: -1.253
local terms energy: -76.122510
where:
bonds (distance) C4'-P energy: -16.135
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -20.149
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: 266
Temperature: 1.150000
Total energy: -156.788164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.788164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.788164 (E_RNA)
where:
Base-Base interactions energy: -95.688
where: short stacking energy: -47.578
Base-Backbone interact. energy: -0.007
local terms energy: -61.092895
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -6.414
tors. eta vs tors. theta energy: -10.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -165.264698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.264698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.264698 (E_RNA)
where:
Base-Base interactions energy: -111.235
where: short stacking energy: -48.746
Base-Backbone interact. energy: -0.101
local terms energy: -53.928032
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -13.115
flat angles P-C4'-P energy: -10.632
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -92.301471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.301471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.301471 (E_RNA)
where:
Base-Base interactions energy: -29.530
where: short stacking energy: -26.936
Base-Backbone interact. energy: -0.117
local terms energy: -62.654412
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -12.146
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -10.184
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: 3
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -99.308186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.308186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.308186 (E_RNA)
where:
Base-Base interactions energy: -49.305
where: short stacking energy: -46.482
Base-Backbone interact. energy: -0.135
local terms energy: -49.867610
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -4.809
tors. eta vs tors. theta energy: -7.075
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: 266
Temperature: 1.350000
Total energy: -81.680729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.680729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.680729 (E_RNA)
where:
Base-Base interactions energy: -31.195
where: short stacking energy: -23.341
Base-Backbone interact. energy: -0.068
local terms energy: -50.416970
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -231.985723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.985723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.985723 (E_RNA)
where:
Base-Base interactions energy: -148.279
where: short stacking energy: -69.051
Base-Backbone interact. energy: -0.253
local terms energy: -83.453339
where:
bonds (distance) C4'-P energy: -17.887
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -10.090
tors. eta vs tors. theta energy: -23.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -222.442531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.442531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.442531 (E_RNA)
where:
Base-Base interactions energy: -146.368
where: short stacking energy: -72.797
Base-Backbone interact. energy: -0.000
local terms energy: -76.073961
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -19.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -212.912020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.912020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.912020 (E_RNA)
where:
Base-Base interactions energy: -143.316
where: short stacking energy: -61.813
Base-Backbone interact. energy: -0.272
local terms energy: -69.323738
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -9.883
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: 4, replica: 7
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -211.935198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.935198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.935198 (E_RNA)
where:
Base-Base interactions energy: -133.643
where: short stacking energy: -68.196
Base-Backbone interact. energy: -0.000
local terms energy: -78.292013
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -15.791
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -185.488174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.488174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.488174 (E_RNA)
where:
Base-Base interactions energy: -123.647
where: short stacking energy: -48.487
Base-Backbone interact. energy: -0.908
local terms energy: -60.933057
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -9.914
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: 6, replica: 4
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -165.629638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.629638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.629638 (E_RNA)
where:
Base-Base interactions energy: -107.189
where: short stacking energy: -44.325
Base-Backbone interact. energy: -0.608
local terms energy: -57.832603
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -8.734
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -11.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -162.343206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.343206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.343206 (E_RNA)
where:
Base-Base interactions energy: -102.249
where: short stacking energy: -42.306
Base-Backbone interact. energy: -0.084
local terms energy: -60.010557
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -7.429
tors. eta vs tors. theta energy: -11.188
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: 3
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -94.782609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.782609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.782609 (E_RNA)
where:
Base-Base interactions energy: -32.089
where: short stacking energy: -32.089
Base-Backbone interact. energy: -0.075
local terms energy: -62.617851
where:
bonds (distance) C4'-P energy: -13.225
bonds (distance) P-C4' energy: -12.701
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -13.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -82.195595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.195595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.195595 (E_RNA)
where:
Base-Base interactions energy: -38.649
where: short stacking energy: -31.693
Base-Backbone interact. energy: -0.155
local terms energy: -43.391344
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -7.763
flat angles P-C4'-P energy: -9.291
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: 9
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -72.272258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.272258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.272258 (E_RNA)
where:
Base-Base interactions energy: -26.262
where: short stacking energy: -21.886
Base-Backbone interact. energy: 0.204
local terms energy: -46.214313
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -5.397
tors. eta vs tors. theta energy: -1.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -232.870266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.870266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.870266 (E_RNA)
where:
Base-Base interactions energy: -153.560
where: short stacking energy: -80.022
Base-Backbone interact. energy: -0.006
local terms energy: -79.304231
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.501
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -224.436786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.436786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.436786 (E_RNA)
where:
Base-Base interactions energy: -154.835
where: short stacking energy: -66.904
Base-Backbone interact. energy: -0.059
local terms energy: -69.542450
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -20.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -211.765915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.765915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.765915 (E_RNA)
where:
Base-Base interactions energy: -135.903
where: short stacking energy: -65.154
Base-Backbone interact. energy: -0.030
local terms energy: -75.833378
where:
bonds (distance) C4'-P energy: -14.276
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -9.907
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: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -201.701402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.701402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.701402 (E_RNA)
where:
Base-Base interactions energy: -135.720
where: short stacking energy: -58.661
Base-Backbone interact. energy: -0.500
local terms energy: -65.481338
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -3.937
tors. eta vs tors. theta energy: -15.935
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: 5, replica: 4
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -183.270719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.270719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.270719 (E_RNA)
where:
Base-Base interactions energy: -118.647
where: short stacking energy: -54.374
Base-Backbone interact. energy: 1.335
local terms energy: -65.959028
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -13.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -177.794842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.794842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.794842 (E_RNA)
where:
Base-Base interactions energy: -118.376
where: short stacking energy: -56.989
Base-Backbone interact. energy: 0.911
local terms energy: -60.329156
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -16.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -171.197125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.197125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.197125 (E_RNA)
where:
Base-Base interactions energy: -115.558
where: short stacking energy: -53.846
Base-Backbone interact. energy: -0.001
local terms energy: -55.637696
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -11.650
flat angles C4'-P-C4' energy: -10.697
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -14.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -91.297454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.297454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.297454 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -13.919
Base-Backbone interact. energy: 0.541
local terms energy: -51.502221
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: 0.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -85.658575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.658575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.658575 (E_RNA)
where:
Base-Base interactions energy: -30.585
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.102
local terms energy: -54.971596
where:
bonds (distance) C4'-P energy: -15.842
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -11.844
flat angles P-C4'-P energy: -6.548
tors. eta vs tors. theta energy: -7.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -81.601535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.601535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.601535 (E_RNA)
where:
Base-Base interactions energy: -33.595
where: short stacking energy: -29.510
Base-Backbone interact. energy: -0.164
local terms energy: -47.842607
where:
bonds (distance) C4'-P energy: -10.199
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -6.934
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: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -222.721098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.721098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.721098 (E_RNA)
where:
Base-Base interactions energy: -145.699
where: short stacking energy: -74.061
Base-Backbone interact. energy: -0.034
local terms energy: -76.988945
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -11.585
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: 2, replica: 7
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -226.951849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.951849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.951849 (E_RNA)
where:
Base-Base interactions energy: -147.504
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.051
local terms energy: -79.396934
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -10.029
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: 3, replica: 10
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -219.693683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.693683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.693683 (E_RNA)
where:
Base-Base interactions energy: -150.805
where: short stacking energy: -71.958
Base-Backbone interact. energy: -0.015
local terms energy: -68.873546
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.472
flat angles C4'-P-C4' energy: -14.128
flat angles P-C4'-P energy: -4.883
tors. eta vs tors. theta energy: -20.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -195.561242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.561242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.561242 (E_RNA)
where:
Base-Base interactions energy: -130.955
where: short stacking energy: -56.737
Base-Backbone interact. energy: -0.813
local terms energy: -63.792981
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.610
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -188.319062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.319062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.319062 (E_RNA)
where:
Base-Base interactions energy: -116.637
where: short stacking energy: -57.567
Base-Backbone interact. energy: -1.176
local terms energy: -70.506060
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -9.521
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: 6, replica: 1
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -172.250108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.250108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.250108 (E_RNA)
where:
Base-Base interactions energy: -111.090
where: short stacking energy: -51.035
Base-Backbone interact. energy: -0.199
local terms energy: -60.960609
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -4.907
tors. eta vs tors. theta energy: -10.717
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: 5
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -173.544606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.544606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.544606 (E_RNA)
where:
Base-Base interactions energy: -117.282
where: short stacking energy: -45.782
Base-Backbone interact. energy: -0.462
local terms energy: -55.799944
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -8.480
tors. eta vs tors. theta energy: -5.406
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: 9
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -85.964395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.964395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.964395 (E_RNA)
where:
Base-Base interactions energy: -40.234
where: short stacking energy: -26.938
Base-Backbone interact. energy: -0.815
local terms energy: -44.915357
where:
bonds (distance) C4'-P energy: -5.640
bonds (distance) P-C4' energy: -10.946
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -2.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -85.744260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.744260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.744260 (E_RNA)
where:
Base-Base interactions energy: -37.691
where: short stacking energy: -30.812
Base-Backbone interact. energy: -0.142
local terms energy: -47.911145
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -11.257
flat angles P-C4'-P energy: -7.014
tors. eta vs tors. theta energy: -2.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -96.053210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.053210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.053210 (E_RNA)
where:
Base-Base interactions energy: -48.270
where: short stacking energy: -39.278
Base-Backbone interact. energy: -0.028
local terms energy: -47.755105
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -9.895
flat angles C4'-P-C4' energy: -14.151
flat angles P-C4'-P energy: -9.103
tors. eta vs tors. theta energy: -7.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -221.226784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.226784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.226784 (E_RNA)
where:
Base-Base interactions energy: -142.421
where: short stacking energy: -66.691
Base-Backbone interact. energy: -0.376
local terms energy: -78.429829
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -227.098746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.098746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.098746 (E_RNA)
where:
Base-Base interactions energy: -152.070
where: short stacking energy: -71.129
Base-Backbone interact. energy: -0.330
local terms energy: -74.698102
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -18.272
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: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -200.975781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.975781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.975781 (E_RNA)
where:
Base-Base interactions energy: -133.535
where: short stacking energy: -75.680
Base-Backbone interact. energy: -0.820
local terms energy: -66.619993
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.292
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.211
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: 4, replica: 10
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -217.574212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.574212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.574212 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -64.139
Base-Backbone interact. energy: -0.042
local terms energy: -70.319360
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -12.011
flat angles C4'-P-C4' energy: -15.129
flat angles P-C4'-P energy: -7.754
tors. eta vs tors. theta energy: -22.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -184.644945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.644945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.644945 (E_RNA)
where:
Base-Base interactions energy: -125.900
where: short stacking energy: -42.708
Base-Backbone interact. energy: -0.710
local terms energy: -58.034560
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -7.975
tors. eta vs tors. theta energy: -8.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -176.967452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.967452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.967452 (E_RNA)
where:
Base-Base interactions energy: -111.663
where: short stacking energy: -57.939
Base-Backbone interact. energy: -0.001
local terms energy: -65.304079
where:
bonds (distance) C4'-P energy: -13.163
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -5.555
tors. eta vs tors. theta energy: -18.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -185.346992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.346992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.346992 (E_RNA)
where:
Base-Base interactions energy: -120.991
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.434
local terms energy: -63.922020
where:
bonds (distance) C4'-P energy: -14.839
bonds (distance) P-C4' energy: -11.393
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -8.406
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -101.149426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.149426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.149426 (E_RNA)
where:
Base-Base interactions energy: -55.198
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.383
local terms energy: -45.569010
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -12.992
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -5.103
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -101.781752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.781752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.781752 (E_RNA)
where:
Base-Base interactions energy: -46.538
where: short stacking energy: -22.608
Base-Backbone interact. energy: -0.217
local terms energy: -55.027333
where:
bonds (distance) C4'-P energy: -14.223
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -1.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -76.664714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.664714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.664714 (E_RNA)
where:
Base-Base interactions energy: -23.202
where: short stacking energy: -21.090
Base-Backbone interact. energy: -0.132
local terms energy: -53.331154
where:
bonds (distance) C4'-P energy: -11.880
bonds (distance) P-C4' energy: -16.010
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -233.129873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.129873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.129873 (E_RNA)
where:
Base-Base interactions energy: -153.365
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.000
local terms energy: -79.764056
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -22.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -228.364268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.364268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.364268 (E_RNA)
where:
Base-Base interactions energy: -155.079
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.197
local terms energy: -73.088320
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -9.485
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: 3, replica: 4
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -196.691429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.691429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.691429 (E_RNA)
where:
Base-Base interactions energy: -130.262
where: short stacking energy: -58.861
Base-Backbone interact. energy: -0.162
local terms energy: -66.266698
where:
bonds (distance) C4'-P energy: -10.634
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -14.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -191.192926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.192926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.192926 (E_RNA)
where:
Base-Base interactions energy: -132.577
where: short stacking energy: -52.563
Base-Backbone interact. energy: -1.004
local terms energy: -57.611737
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -5.329
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: 10
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -209.571267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.571267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.571267 (E_RNA)
where:
Base-Base interactions energy: -139.551
where: short stacking energy: -60.051
Base-Backbone interact. energy: -0.233
local terms energy: -69.787269
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -9.739
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -8.291
tors. eta vs tors. theta energy: -17.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -181.732266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.732266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.732266 (E_RNA)
where:
Base-Base interactions energy: -121.034
where: short stacking energy: -48.199
Base-Backbone interact. energy: -0.017
local terms energy: -60.681744
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -14.980
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -9.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -177.910631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.910631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.910631 (E_RNA)
where:
Base-Base interactions energy: -114.340
where: short stacking energy: -48.102
Base-Backbone interact. energy: 1.649
local terms energy: -65.219546
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.626
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -9.468
tors. eta vs tors. theta energy: -12.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -136.621152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.621152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.621152 (E_RNA)
where:
Base-Base interactions energy: -87.207
where: short stacking energy: -37.767
Base-Backbone interact. energy: 0.137
local terms energy: -49.550942
where:
bonds (distance) C4'-P energy: -6.853
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -10.817
tors. eta vs tors. theta energy: -10.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -86.901639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.901639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.901639 (E_RNA)
where:
Base-Base interactions energy: -39.514
where: short stacking energy: -36.070
Base-Backbone interact. energy: -0.096
local terms energy: -47.291957
where:
bonds (distance) C4'-P energy: -8.593
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -10.719
flat angles P-C4'-P energy: -6.844
tors. eta vs tors. theta energy: -7.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -79.130370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.130370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.130370 (E_RNA)
where:
Base-Base interactions energy: -23.033
where: short stacking energy: -23.033
Base-Backbone interact. energy: -0.126
local terms energy: -55.971693
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -7.837
tors. eta vs tors. theta energy: -0.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -231.650970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.650970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.650970 (E_RNA)
where:
Base-Base interactions energy: -147.174
where: short stacking energy: -68.105
Base-Backbone interact. energy: -0.322
local terms energy: -84.154700
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -11.361
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: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -224.171579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.171579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.171579 (E_RNA)
where:
Base-Base interactions energy: -147.972
where: short stacking energy: -70.426
Base-Backbone interact. energy: -0.024
local terms energy: -76.175780
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -14.939
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -20.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -199.903942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.903942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.903942 (E_RNA)
where:
Base-Base interactions energy: -131.191
where: short stacking energy: -61.932
Base-Backbone interact. energy: -0.014
local terms energy: -68.699378
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -16.278
flat angles C4'-P-C4' energy: -13.856
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -12.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -192.958280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.958280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.958280 (E_RNA)
where:
Base-Base interactions energy: -125.408
where: short stacking energy: -63.144
Base-Backbone interact. energy: -0.105
local terms energy: -67.444931
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.570
flat angles C4'-P-C4' energy: -9.973
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -16.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -210.727381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.727381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.727381 (E_RNA)
where:
Base-Base interactions energy: -140.583
where: short stacking energy: -63.399
Base-Backbone interact. energy: 0.958
local terms energy: -71.102011
where:
bonds (distance) C4'-P energy: -13.057
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -9.367
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: 6, replica: 5
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -183.760781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.760781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.760781 (E_RNA)
where:
Base-Base interactions energy: -122.777
where: short stacking energy: -49.194
Base-Backbone interact. energy: -0.063
local terms energy: -60.920671
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -11.065
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: 1
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -176.346128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.346128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.346128 (E_RNA)
where:
Base-Base interactions energy: -103.905
where: short stacking energy: -51.254
Base-Backbone interact. energy: -0.012
local terms energy: -72.428628
where:
bonds (distance) C4'-P energy: -12.082
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.644
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -118.808592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.808592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.808592 (E_RNA)
where:
Base-Base interactions energy: -68.730
where: short stacking energy: -40.365
Base-Backbone interact. energy: -0.600
local terms energy: -49.478484
where:
bonds (distance) C4'-P energy: -11.685
bonds (distance) P-C4' energy: -8.277
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -4.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -89.415317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.415317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.415317 (E_RNA)
where:
Base-Base interactions energy: -44.002
where: short stacking energy: -28.384
Base-Backbone interact. energy: 0.507
local terms energy: -45.920113
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -8.268
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -0.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -79.954276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.954276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.954276 (E_RNA)
where:
Base-Base interactions energy: -27.199
where: short stacking energy: -28.380
Base-Backbone interact. energy: -0.048
local terms energy: -52.707127
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -10.771
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -230.511875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.511875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.511875 (E_RNA)
where:
Base-Base interactions energy: -152.710
where: short stacking energy: -78.321
Base-Backbone interact. energy: -0.196
local terms energy: -77.606326
where:
bonds (distance) C4'-P energy: -13.332
bonds (distance) P-C4' energy: -14.996
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -8.209
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -234.600735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.600735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.600735 (E_RNA)
where:
Base-Base interactions energy: -156.512
where: short stacking energy: -74.927
Base-Backbone interact. energy: -0.255
local terms energy: -77.834029
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -8.006
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -207.641782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.641782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.641782 (E_RNA)
where:
Base-Base interactions energy: -138.207
where: short stacking energy: -61.810
Base-Backbone interact. energy: -0.301
local terms energy: -69.133670
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -14.481
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -4.823
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: 4, replica: 10
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -210.314057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.314057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.314057 (E_RNA)
where:
Base-Base interactions energy: -141.058
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.004
local terms energy: -69.251778
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -14.017
flat angles C4'-P-C4' energy: -12.654
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -185.445363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.445363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.445363 (E_RNA)
where:
Base-Base interactions energy: -114.107
where: short stacking energy: -52.072
Base-Backbone interact. energy: -0.062
local terms energy: -71.277123
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -14.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -183.856742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.856742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.856742 (E_RNA)
where:
Base-Base interactions energy: -116.599
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.271
local terms energy: -66.987060
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -12.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -172.977011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.977011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.977011 (E_RNA)
where:
Base-Base interactions energy: -114.275
where: short stacking energy: -59.292
Base-Backbone interact. energy: -0.046
local terms energy: -58.656288
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -10.417
flat angles C4'-P-C4' energy: -14.037
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -13.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -88.294603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.294603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.294603 (E_RNA)
where:
Base-Base interactions energy: -43.480
where: short stacking energy: -39.162
Base-Backbone interact. energy: -0.079
local terms energy: -44.736295
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -11.470
flat angles C4'-P-C4' energy: -8.230
flat angles P-C4'-P energy: -5.168
tors. eta vs tors. theta energy: -5.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -77.054992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.054992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.054992 (E_RNA)
where:
Base-Base interactions energy: -38.694
where: short stacking energy: -29.800
Base-Backbone interact. energy: -0.114
local terms energy: -38.247205
where:
bonds (distance) C4'-P energy: -9.371
bonds (distance) P-C4' energy: -10.005
flat angles C4'-P-C4' energy: -7.531
flat angles P-C4'-P energy: -8.956
tors. eta vs tors. theta energy: -2.384
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: 3
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -85.989897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989897 (E_RNA)
where:
Base-Base interactions energy: -33.480
where: short stacking energy: -29.189
Base-Backbone interact. energy: -0.132
local terms energy: -52.378570
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -3.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -241.232975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.232975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.232975 (E_RNA)
where:
Base-Base interactions energy: -159.077
where: short stacking energy: -79.876
Base-Backbone interact. energy: -0.126
local terms energy: -82.030142
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -21.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -227.855733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.855733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.855733 (E_RNA)
where:
Base-Base interactions energy: -153.747
where: short stacking energy: -72.506
Base-Backbone interact. energy: -0.045
local terms energy: -74.064417
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -12.489
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -21.728
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: 274
Temperature: 1.000000
Total energy: -209.344995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.344995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.344995 (E_RNA)
where:
Base-Base interactions energy: -137.926
where: short stacking energy: -61.122
Base-Backbone interact. energy: -0.006
local terms energy: -71.412820
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -11.643
tors. eta vs tors. theta energy: -15.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -192.870505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.870505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.870505 (E_RNA)
where:
Base-Base interactions energy: -127.008
where: short stacking energy: -53.313
Base-Backbone interact. energy: 0.426
local terms energy: -66.288728
where:
bonds (distance) C4'-P energy: -13.559
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -14.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -184.824567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.824567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.824567 (E_RNA)
where:
Base-Base interactions energy: -125.055
where: short stacking energy: -64.085
Base-Backbone interact. energy: -0.102
local terms energy: -59.667500
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -7.270
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -15.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -177.510934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.510934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.510934 (E_RNA)
where:
Base-Base interactions energy: -117.545
where: short stacking energy: -60.710
Base-Backbone interact. energy: -0.038
local terms energy: -59.928152
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -15.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -158.663815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.663815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.663815 (E_RNA)
where:
Base-Base interactions energy: -89.360
where: short stacking energy: -44.718
Base-Backbone interact. energy: -0.076
local terms energy: -69.227539
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -12.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -127.396691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.396691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.396691 (E_RNA)
where:
Base-Base interactions energy: -75.991
where: short stacking energy: -30.778
Base-Backbone interact. energy: 1.547
local terms energy: -52.952681
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -12.080
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.414
tors. eta vs tors. theta energy: -5.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -96.419157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.419157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.419157 (E_RNA)
where:
Base-Base interactions energy: -48.565
where: short stacking energy: -41.620
Base-Backbone interact. energy: -0.963
local terms energy: -46.890583
where:
bonds (distance) C4'-P energy: -10.002
bonds (distance) P-C4' energy: -13.027
flat angles C4'-P-C4' energy: -13.158
flat angles P-C4'-P energy: -7.323
tors. eta vs tors. theta energy: -3.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -83.669993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.669993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.669993 (E_RNA)
where:
Base-Base interactions energy: -37.184
where: short stacking energy: -24.184
Base-Backbone interact. energy: -0.076
local terms energy: -46.410014
where:
bonds (distance) C4'-P energy: -8.957
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -13.326
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -232.958954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.958954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.958954 (E_RNA)
where:
Base-Base interactions energy: -155.704
where: short stacking energy: -77.723
Base-Backbone interact. energy: 1.058
local terms energy: -78.312669
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -9.091
tors. eta vs tors. theta energy: -20.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -227.379774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.379774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.379774 (E_RNA)
where:
Base-Base interactions energy: -150.442
where: short stacking energy: -73.404
Base-Backbone interact. energy: -0.002
local terms energy: -76.935833
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -8.550
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -22.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -208.045452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.045452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.045452 (E_RNA)
where:
Base-Base interactions energy: -138.349
where: short stacking energy: -64.032
Base-Backbone interact. energy: -0.001
local terms energy: -69.696079
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -12.240
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -17.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -194.664352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.664352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.664352 (E_RNA)
where:
Base-Base interactions energy: -130.528
where: short stacking energy: -52.461
Base-Backbone interact. energy: -0.019
local terms energy: -64.117291
where:
bonds (distance) C4'-P energy: -14.007
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -13.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -184.700142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.700142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.700142 (E_RNA)
where:
Base-Base interactions energy: -118.452
where: short stacking energy: -61.973
Base-Backbone interact. energy: -0.025
local terms energy: -66.223465
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -147.740898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.740898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.740898 (E_RNA)
where:
Base-Base interactions energy: -97.341
where: short stacking energy: -44.487
Base-Backbone interact. energy: -0.033
local terms energy: -50.366488
where:
bonds (distance) C4'-P energy: -14.699
bonds (distance) P-C4' energy: -7.846
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -4.376
tors. eta vs tors. theta energy: -11.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -162.996996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.996996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.996996 (E_RNA)
where:
Base-Base interactions energy: -96.622
where: short stacking energy: -48.245
Base-Backbone interact. energy: -0.070
local terms energy: -66.304574
where:
bonds (distance) C4'-P energy: -16.927
bonds (distance) P-C4' energy: -14.787
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -6.634
tors. eta vs tors. theta energy: -14.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -130.533572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.533572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.533572 (E_RNA)
where:
Base-Base interactions energy: -92.801
where: short stacking energy: -34.093
Base-Backbone interact. energy: -0.633
local terms energy: -37.099904
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -5.720
flat angles P-C4'-P energy: -6.517
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: 9, replica: 3
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -90.721301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.721301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.721301 (E_RNA)
where:
Base-Base interactions energy: -37.415
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.148
local terms energy: -53.158671
where:
bonds (distance) C4'-P energy: -13.581
bonds (distance) P-C4' energy: -13.647
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -10.505
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: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -83.374851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374851 (E_RNA)
where:
Base-Base interactions energy: -34.307
where: short stacking energy: -27.879
Base-Backbone interact. energy: -0.087
local terms energy: -48.981194
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -12.663
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -3.966
tors. eta vs tors. theta energy: -2.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -230.370182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.370182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.370182 (E_RNA)
where:
Base-Base interactions energy: -154.346
where: short stacking energy: -80.220
Base-Backbone interact. energy: 0.345
local terms energy: -76.369904
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: -21.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -219.653708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.653708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.653708 (E_RNA)
where:
Base-Base interactions energy: -143.267
where: short stacking energy: -58.719
Base-Backbone interact. energy: -0.413
local terms energy: -75.972882
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -213.987793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.987793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.987793 (E_RNA)
where:
Base-Base interactions energy: -147.128
where: short stacking energy: -61.594
Base-Backbone interact. energy: -0.038
local terms energy: -66.821386
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -15.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -210.464739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.464739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.464739 (E_RNA)
where:
Base-Base interactions energy: -132.017
where: short stacking energy: -73.870
Base-Backbone interact. energy: -0.584
local terms energy: -77.863445
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -14.638
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.588
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: 5
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -180.147468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.147468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.147468 (E_RNA)
where:
Base-Base interactions energy: -111.467
where: short stacking energy: -55.910
Base-Backbone interact. energy: -0.013
local terms energy: -68.667430
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -14.430
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: 276
Temperature: 1.150000
Total energy: -175.080942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.080942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.080942 (E_RNA)
where:
Base-Base interactions energy: -108.456
where: short stacking energy: -47.487
Base-Backbone interact. energy: 0.358
local terms energy: -66.982182
where:
bonds (distance) C4'-P energy: -11.421
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -171.536730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.536730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.536730 (E_RNA)
where:
Base-Base interactions energy: -96.197
where: short stacking energy: -42.862
Base-Backbone interact. energy: -0.392
local terms energy: -74.948552
where:
bonds (distance) C4'-P energy: -17.700
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -18.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -130.014228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.014228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.014228 (E_RNA)
where:
Base-Base interactions energy: -73.840
where: short stacking energy: -42.059
Base-Backbone interact. energy: -0.289
local terms energy: -55.885835
where:
bonds (distance) C4'-P energy: -10.041
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -8.245
tors. eta vs tors. theta energy: -7.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -79.247674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.247674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.247674 (E_RNA)
where:
Base-Base interactions energy: -25.708
where: short stacking energy: -24.978
Base-Backbone interact. energy: 0.847
local terms energy: -54.386824
where:
bonds (distance) C4'-P energy: -15.321
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -5.442
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: 10, replica: 3
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -78.711677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.711677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.711677 (E_RNA)
where:
Base-Base interactions energy: -22.773
where: short stacking energy: -22.773
Base-Backbone interact. energy: -0.032
local terms energy: -55.906594
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -3.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -225.406965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.406965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.406965 (E_RNA)
where:
Base-Base interactions energy: -149.540
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.002
local terms energy: -75.864917
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -21.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -231.144268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.144268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.144268 (E_RNA)
where:
Base-Base interactions energy: -154.805
where: short stacking energy: -71.838
Base-Backbone interact. energy: -0.015
local terms energy: -76.324408
where:
bonds (distance) C4'-P energy: -13.080
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -11.258
tors. eta vs tors. theta energy: -20.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -206.025502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.025502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.025502 (E_RNA)
where:
Base-Base interactions energy: -136.676
where: short stacking energy: -61.436
Base-Backbone interact. energy: -0.009
local terms energy: -69.340401
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.578
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -8.386
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: 4, replica: 10
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -194.134297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.134297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.134297 (E_RNA)
where:
Base-Base interactions energy: -125.361
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.029
local terms energy: -68.744421
where:
bonds (distance) C4'-P energy: -10.389
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -16.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -180.505204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.505204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.505204 (E_RNA)
where:
Base-Base interactions energy: -116.134
where: short stacking energy: -58.334
Base-Backbone interact. energy: 0.227
local terms energy: -64.597836
where:
bonds (distance) C4'-P energy: -11.672
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -12.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -176.677488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.677488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.677488 (E_RNA)
where:
Base-Base interactions energy: -107.268
where: short stacking energy: -53.559
Base-Backbone interact. energy: -0.102
local terms energy: -69.307755
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -14.576
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -8.474
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: 6
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -185.108461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.108461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.108461 (E_RNA)
where:
Base-Base interactions energy: -123.202
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.051
local terms energy: -61.855257
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -13.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -121.788362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.788362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.788362 (E_RNA)
where:
Base-Base interactions energy: -72.391
where: short stacking energy: -34.526
Base-Backbone interact. energy: 0.844
local terms energy: -50.241295
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -6.991
tors. eta vs tors. theta energy: -1.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -74.856094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.856094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.856094 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -25.189
Base-Backbone interact. energy: -0.033
local terms energy: -45.265322
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: 2.862
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: 3
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -81.732038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.732038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.732038 (E_RNA)
where:
Base-Base interactions energy: -32.349
where: short stacking energy: -29.177
Base-Backbone interact. energy: -0.164
local terms energy: -49.218865
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -8.013
flat angles P-C4'-P energy: -7.516
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: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -230.058867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.058867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.058867 (E_RNA)
where:
Base-Base interactions energy: -144.291
where: short stacking energy: -68.314
Base-Backbone interact. energy: -0.266
local terms energy: -85.501208
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -23.100
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: 278
Temperature: 0.950000
Total energy: -228.518538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.518538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.518538 (E_RNA)
where:
Base-Base interactions energy: -151.724
where: short stacking energy: -76.153
Base-Backbone interact. energy: -0.016
local terms energy: -76.777797
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.137
flat angles P-C4'-P energy: -10.376
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: 4
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -208.717270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.717270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.717270 (E_RNA)
where:
Base-Base interactions energy: -134.234
where: short stacking energy: -54.170
Base-Backbone interact. energy: -0.520
local terms energy: -73.962745
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.114
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: 4, replica: 10
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -202.529384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.529384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.529384 (E_RNA)
where:
Base-Base interactions energy: -127.559
where: short stacking energy: -62.645
Base-Backbone interact. energy: -0.132
local terms energy: -74.837995
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -14.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -181.528634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.528634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.528634 (E_RNA)
where:
Base-Base interactions energy: -117.699
where: short stacking energy: -56.880
Base-Backbone interact. energy: -0.071
local terms energy: -63.758328
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -10.090
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: 6, replica: 5
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -172.815556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.815556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.815556 (E_RNA)
where:
Base-Base interactions energy: -113.931
where: short stacking energy: -52.249
Base-Backbone interact. energy: -0.079
local terms energy: -58.805869
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -13.563
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -178.164910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.164910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.164910 (E_RNA)
where:
Base-Base interactions energy: -111.207
where: short stacking energy: -56.147
Base-Backbone interact. energy: 1.218
local terms energy: -68.176369
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -13.862
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -15.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -88.649353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649353 (E_RNA)
where:
Base-Base interactions energy: -36.510
where: short stacking energy: -30.362
Base-Backbone interact. energy: -1.242
local terms energy: -50.897041
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -9.085
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -8.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -87.091839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.091839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.091839 (E_RNA)
where:
Base-Base interactions energy: -41.068
where: short stacking energy: -34.670
Base-Backbone interact. energy: -0.145
local terms energy: -45.878151
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -84.015629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.015629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.015629 (E_RNA)
where:
Base-Base interactions energy: -30.514
where: short stacking energy: -30.390
Base-Backbone interact. energy: -0.047
local terms energy: -53.454404
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -4.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -232.367394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.367394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.367394 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.603
local terms energy: -82.750558
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -22.376
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: 2, replica: 7
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -224.450215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.450215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.450215 (E_RNA)
where:
Base-Base interactions energy: -147.361
where: short stacking energy: -73.857
Base-Backbone interact. energy: -0.001
local terms energy: -77.088391
where:
bonds (distance) C4'-P energy: -10.711
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -21.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -194.304577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.304577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.304577 (E_RNA)
where:
Base-Base interactions energy: -126.569
where: short stacking energy: -42.269
Base-Backbone interact. energy: -0.201
local terms energy: -67.534581
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -8.773
tors. eta vs tors. theta energy: -9.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -216.907820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.907820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.907820 (E_RNA)
where:
Base-Base interactions energy: -144.946
where: short stacking energy: -71.768
Base-Backbone interact. energy: -0.038
local terms energy: -71.923592
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -20.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -173.742870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.742870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.742870 (E_RNA)
where:
Base-Base interactions energy: -109.089
where: short stacking energy: -45.114
Base-Backbone interact. energy: -0.491
local terms energy: -64.162658
where:
bonds (distance) C4'-P energy: -15.456
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -10.440
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -12.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -165.373307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.373307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.373307 (E_RNA)
where:
Base-Base interactions energy: -98.838
where: short stacking energy: -42.986
Base-Backbone interact. energy: -2.106
local terms energy: -64.429514
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.081
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -169.978414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.978414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.978414 (E_RNA)
where:
Base-Base interactions energy: -115.739
where: short stacking energy: -50.604
Base-Backbone interact. energy: -0.385
local terms energy: -53.854314
where:
bonds (distance) C4'-P energy: -9.420
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -10.797
flat angles P-C4'-P energy: -6.773
tors. eta vs tors. theta energy: -11.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -83.302412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.302412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.302412 (E_RNA)
where:
Base-Base interactions energy: -37.823
where: short stacking energy: -29.725
Base-Backbone interact. energy: -0.116
local terms energy: -45.363209
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -12.425
flat angles C4'-P-C4' energy: -10.809
flat angles P-C4'-P energy: -1.389
tors. eta vs tors. theta energy: -3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -87.931610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.931610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.931610 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -33.122
Base-Backbone interact. energy: 1.422
local terms energy: -56.232111
where:
bonds (distance) C4'-P energy: -10.655
bonds (distance) P-C4' energy: -13.866
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -72.622148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.622148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.622148 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -15.196
Base-Backbone interact. energy: -0.066
local terms energy: -43.719248
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -8.061
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -2.417
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: 7
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -232.755069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.755069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.755069 (E_RNA)
where:
Base-Base interactions energy: -151.180
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.028
local terms energy: -81.546458
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -11.597
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: 2, replica: 2
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -227.342223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.342223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.342223 (E_RNA)
where:
Base-Base interactions energy: -153.403
where: short stacking energy: -73.014
Base-Backbone interact. energy: -0.000
local terms energy: -73.939424
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -24.075
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: 280
Temperature: 1.000000
Total energy: -209.349673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.349673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.349673 (E_RNA)
where:
Base-Base interactions energy: -138.524
where: short stacking energy: -70.471
Base-Backbone interact. energy: -0.077
local terms energy: -70.748974
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -11.296
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -216.516085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.516085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.516085 (E_RNA)
where:
Base-Base interactions energy: -142.576
where: short stacking energy: -55.411
Base-Backbone interact. energy: -0.021
local terms energy: -73.919497
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -11.595
tors. eta vs tors. theta energy: -16.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -177.028679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.028679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.028679 (E_RNA)
where:
Base-Base interactions energy: -117.390
where: short stacking energy: -58.196
Base-Backbone interact. energy: -0.059
local terms energy: -59.580059
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -13.232
flat angles P-C4'-P energy: -4.031
tors. eta vs tors. theta energy: -16.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -176.022376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.022376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.022376 (E_RNA)
where:
Base-Base interactions energy: -111.033
where: short stacking energy: -44.643
Base-Backbone interact. energy: -0.059
local terms energy: -64.929883
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -8.512
tors. eta vs tors. theta energy: -12.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -96.408553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.408553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.408553 (E_RNA)
where:
Base-Base interactions energy: -44.716
where: short stacking energy: -28.559
Base-Backbone interact. energy: -1.439
local terms energy: -50.253614
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -11.554
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -2.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -163.951478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.951478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.951478 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -47.688
Base-Backbone interact. energy: -0.041
local terms energy: -56.548011
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -12.901
flat angles P-C4'-P energy: -6.767
tors. eta vs tors. theta energy: -8.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -109.724232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.724232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.724232 (E_RNA)
where:
Base-Base interactions energy: -44.876
where: short stacking energy: -44.876
Base-Backbone interact. energy: 0.442
local terms energy: -65.290440
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -13.927
flat angles C4'-P-C4' energy: -11.620
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -11.617
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: 8
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -87.648617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.648617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.648617 (E_RNA)
where:
Base-Base interactions energy: -39.083
where: short stacking energy: -30.529
Base-Backbone interact. energy: -0.429
local terms energy: -48.137097
where:
bonds (distance) C4'-P energy: -11.009
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -7.692
tors. eta vs tors. theta energy: -2.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -228.448478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.448478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.448478 (E_RNA)
where:
Base-Base interactions energy: -148.777
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.620
local terms energy: -79.051644
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -12.187
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -22.327
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: 2, replica: 2
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -228.080406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.080406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.080406 (E_RNA)
where:
Base-Base interactions energy: -147.210
where: short stacking energy: -69.977
Base-Backbone interact. energy: -0.576
local terms energy: -80.294355
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -15.431
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -18.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -215.806216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.806216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.806216 (E_RNA)
where:
Base-Base interactions energy: -136.911
where: short stacking energy: -75.013
Base-Backbone interact. energy: -0.124
local terms energy: -78.771189
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.868
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: 4, replica: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -191.905814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.905814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.905814 (E_RNA)
where:
Base-Base interactions energy: -128.325
where: short stacking energy: -60.019
Base-Backbone interact. energy: -0.111
local terms energy: -63.469605
where:
bonds (distance) C4'-P energy: -8.838
bonds (distance) P-C4' energy: -14.823
flat angles C4'-P-C4' energy: -14.068
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -13.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -186.096968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.096968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.096968 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -53.747
Base-Backbone interact. energy: -0.269
local terms energy: -64.815484
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -15.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -183.004066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.004066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.004066 (E_RNA)
where:
Base-Base interactions energy: -113.376
where: short stacking energy: -55.055
Base-Backbone interact. energy: -0.067
local terms energy: -69.560601
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -11.927
flat angles C4'-P-C4' energy: -16.055
flat angles P-C4'-P energy: -12.151
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: 7, replica: 9
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -97.759074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.759074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.759074 (E_RNA)
where:
Base-Base interactions energy: -48.799
where: short stacking energy: -26.893
Base-Backbone interact. energy: -0.139
local terms energy: -48.820932
where:
bonds (distance) C4'-P energy: -13.668
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -7.990
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -0.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -148.311248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.311248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.311248 (E_RNA)
where:
Base-Base interactions energy: -88.323
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.032
local terms energy: -59.956180
where:
bonds (distance) C4'-P energy: -11.920
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -8.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -91.774414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.774414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.774414 (E_RNA)
where:
Base-Base interactions energy: -39.529
where: short stacking energy: -25.421
Base-Backbone interact. energy: -0.133
local terms energy: -52.112023
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -8.076
tors. eta vs tors. theta energy: -3.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -80.613140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.613140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.613140 (E_RNA)
where:
Base-Base interactions energy: -36.535
where: short stacking energy: -13.632
Base-Backbone interact. energy: 1.945
local terms energy: -46.023797
where:
bonds (distance) C4'-P energy: -9.573
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -227.289652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.289652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.289652 (E_RNA)
where:
Base-Base interactions energy: -148.570
where: short stacking energy: -73.058
Base-Backbone interact. energy: -0.021
local terms energy: -78.697989
where:
bonds (distance) C4'-P energy: -17.444
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -19.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -223.014019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.014019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.014019 (E_RNA)
where:
Base-Base interactions energy: -144.263
where: short stacking energy: -73.038
Base-Backbone interact. energy: -0.001
local terms energy: -78.750320
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.366
tors. eta vs tors. theta energy: -18.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -219.206986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.206986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.206986 (E_RNA)
where:
Base-Base interactions energy: -146.033
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.005
local terms energy: -73.169114
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -12.093
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: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -183.987320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.987320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.987320 (E_RNA)
where:
Base-Base interactions energy: -115.705
where: short stacking energy: -60.416
Base-Backbone interact. energy: -0.077
local terms energy: -68.205774
where:
bonds (distance) C4'-P energy: -10.658
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -9.184
tors. eta vs tors. theta energy: -15.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -179.524587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.524587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.524587 (E_RNA)
where:
Base-Base interactions energy: -114.600
where: short stacking energy: -59.346
Base-Backbone interact. energy: -0.060
local terms energy: -64.864537
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -17.549
flat angles C4'-P-C4' energy: -11.469
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -13.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -168.117881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.117881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.117881 (E_RNA)
where:
Base-Base interactions energy: -113.118
where: short stacking energy: -51.590
Base-Backbone interact. energy: -0.267
local terms energy: -54.733117
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -6.677
flat angles P-C4'-P energy: -2.384
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: 5
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -165.338777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.338777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.338777 (E_RNA)
where:
Base-Base interactions energy: -102.483
where: short stacking energy: -48.713
Base-Backbone interact. energy: -0.098
local terms energy: -62.757580
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.790
tors. eta vs tors. theta energy: -10.832
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: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -119.004872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.004872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.004872 (E_RNA)
where:
Base-Base interactions energy: -59.525
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.276
local terms energy: -59.204286
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.883
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: 8
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -75.549125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.549125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.549125 (E_RNA)
where:
Base-Base interactions energy: -32.033
where: short stacking energy: -23.071
Base-Backbone interact. energy: -0.172
local terms energy: -43.344889
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -5.985
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: 3
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -86.052611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.052611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.052611 (E_RNA)
where:
Base-Base interactions energy: -29.813
where: short stacking energy: -29.737
Base-Backbone interact. energy: -0.009
local terms energy: -56.230999
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: -2.694
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: 2
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -236.285283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.285283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.285283 (E_RNA)
where:
Base-Base interactions energy: -157.376
where: short stacking energy: -79.927
Base-Backbone interact. energy: -0.002
local terms energy: -78.907393
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -9.291
tors. eta vs tors. theta energy: -22.397
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: 283
Temperature: 0.950000
Total energy: -235.880029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.880029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.880029 (E_RNA)
where:
Base-Base interactions energy: -152.898
where: short stacking energy: -77.768
Base-Backbone interact. energy: -0.042
local terms energy: -82.939884
where:
bonds (distance) C4'-P energy: -15.961
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -21.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -218.529669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.529669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.529669 (E_RNA)
where:
Base-Base interactions energy: -144.534
where: short stacking energy: -69.930
Base-Backbone interact. energy: -0.010
local terms energy: -73.986289
where:
bonds (distance) C4'-P energy: -13.449
bonds (distance) P-C4' energy: -14.050
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -186.005662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.005662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.005662 (E_RNA)
where:
Base-Base interactions energy: -115.973
where: short stacking energy: -61.116
Base-Backbone interact. energy: -0.090
local terms energy: -69.942579
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -13.599
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -10.467
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: 5, replica: 4
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -182.395554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.395554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.395554 (E_RNA)
where:
Base-Base interactions energy: -116.270
where: short stacking energy: -47.935
Base-Backbone interact. energy: -0.489
local terms energy: -65.637367
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -8.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -186.352685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.352685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.352685 (E_RNA)
where:
Base-Base interactions energy: -124.944
where: short stacking energy: -63.078
Base-Backbone interact. energy: -0.008
local terms energy: -61.401051
where:
bonds (distance) C4'-P energy: -10.083
bonds (distance) P-C4' energy: -12.254
flat angles C4'-P-C4' energy: -14.785
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -14.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -157.572502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.572502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.572502 (E_RNA)
where:
Base-Base interactions energy: -104.093
where: short stacking energy: -50.160
Base-Backbone interact. energy: -0.116
local terms energy: -53.363440
where:
bonds (distance) C4'-P energy: -11.100
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -9.735
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -10.635
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: 9
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -114.107729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.107729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.107729 (E_RNA)
where:
Base-Base interactions energy: -65.279
where: short stacking energy: -33.090
Base-Backbone interact. energy: -0.126
local terms energy: -48.703242
where:
bonds (distance) C4'-P energy: -14.211
bonds (distance) P-C4' energy: -9.996
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -4.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -82.277635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.277635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.277635 (E_RNA)
where:
Base-Base interactions energy: -35.170
where: short stacking energy: -23.118
Base-Backbone interact. energy: -0.450
local terms energy: -46.657607
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -10.246
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -1.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -85.208039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.208039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.208039 (E_RNA)
where:
Base-Base interactions energy: -35.503
where: short stacking energy: -31.474
Base-Backbone interact. energy: -0.185
local terms energy: -49.519650
where:
bonds (distance) C4'-P energy: -12.845
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -4.928
tors. eta vs tors. theta energy: -1.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -224.709466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.709466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.709466 (E_RNA)
where:
Base-Base interactions energy: -141.571
where: short stacking energy: -70.223
Base-Backbone interact. energy: -0.004
local terms energy: -83.135118
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -11.898
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: 2, replica: 2
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -226.530422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.530422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.530422 (E_RNA)
where:
Base-Base interactions energy: -153.371
where: short stacking energy: -71.610
Base-Backbone interact. energy: -0.140
local terms energy: -73.019071
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.422
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -17.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -222.189132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.189132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.189132 (E_RNA)
where:
Base-Base interactions energy: -147.369
where: short stacking energy: -73.820
Base-Backbone interact. energy: -0.016
local terms energy: -74.803722
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -16.612
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -8.291
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: 4, replica: 6
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -183.935935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.935935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.935935 (E_RNA)
where:
Base-Base interactions energy: -120.677
where: short stacking energy: -48.579
Base-Backbone interact. energy: -0.024
local terms energy: -63.234902
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -169.989011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.989011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.989011 (E_RNA)
where:
Base-Base interactions energy: -113.078
where: short stacking energy: -50.101
Base-Backbone interact. energy: -0.098
local terms energy: -56.813203
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.336
flat angles C4'-P-C4' energy: -6.183
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -11.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -164.036761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.036761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.036761 (E_RNA)
where:
Base-Base interactions energy: -107.391
where: short stacking energy: -38.249
Base-Backbone interact. energy: -0.267
local terms energy: -56.379445
where:
bonds (distance) C4'-P energy: -10.141
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -93.989628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.989628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.989628 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.104
local terms energy: -60.740715
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -12.354
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -6.897
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: 5
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -173.380482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.380482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.380482 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -47.318
Base-Backbone interact. energy: -0.121
local terms energy: -58.342193
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -11.867
flat angles C4'-P-C4' energy: -14.002
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -10.533
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: 3
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -83.316803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.316803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.316803 (E_RNA)
where:
Base-Base interactions energy: -31.627
where: short stacking energy: -31.627
Base-Backbone interact. energy: -0.877
local terms energy: -50.812340
where:
bonds (distance) C4'-P energy: -11.975
bonds (distance) P-C4' energy: -18.644
flat angles C4'-P-C4' energy: -10.093
flat angles P-C4'-P energy: -5.456
tors. eta vs tors. theta energy: -4.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -83.909380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.909380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.909380 (E_RNA)
where:
Base-Base interactions energy: -39.984
where: short stacking energy: -35.088
Base-Backbone interact. energy: 1.284
local terms energy: -45.209772
where:
bonds (distance) C4'-P energy: -8.153
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -7.497
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -6.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -227.828469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.828469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.828469 (E_RNA)
where:
Base-Base interactions energy: -152.881
where: short stacking energy: -76.566
Base-Backbone interact. energy: -0.009
local terms energy: -74.937882
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -20.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -226.301595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.301595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.301595 (E_RNA)
where:
Base-Base interactions energy: -144.750
where: short stacking energy: -70.128
Base-Backbone interact. energy: -0.001
local terms energy: -81.551157
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -16.300
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -22.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -232.376769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.376769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.376769 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.003
local terms energy: -79.574598
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -20.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -177.003526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.003526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.003526 (E_RNA)
where:
Base-Base interactions energy: -124.554
where: short stacking energy: -55.479
Base-Backbone interact. energy: 1.651
local terms energy: -54.100715
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -0.980
tors. eta vs tors. theta energy: -11.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -194.221573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.221573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.221573 (E_RNA)
where:
Base-Base interactions energy: -131.528
where: short stacking energy: -45.409
Base-Backbone interact. energy: -0.769
local terms energy: -61.924611
where:
bonds (distance) C4'-P energy: -12.397
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -11.479
tors. eta vs tors. theta energy: -9.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -168.979522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.979522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.979522 (E_RNA)
where:
Base-Base interactions energy: -110.436
where: short stacking energy: -51.015
Base-Backbone interact. energy: -0.497
local terms energy: -58.046131
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -6.601
tors. eta vs tors. theta energy: -6.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -97.614124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.614124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.614124 (E_RNA)
where:
Base-Base interactions energy: -37.981
where: short stacking energy: -33.424
Base-Backbone interact. energy: -0.190
local terms energy: -59.443188
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -9.851
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -5.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -168.493641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.493641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.493641 (E_RNA)
where:
Base-Base interactions energy: -109.121
where: short stacking energy: -48.568
Base-Backbone interact. energy: -0.106
local terms energy: -59.266993
where:
bonds (distance) C4'-P energy: -10.162
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -10.503
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: 3
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -110.770365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.770365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.770365 (E_RNA)
where:
Base-Base interactions energy: -57.839
where: short stacking energy: -21.402
Base-Backbone interact. energy: -0.106
local terms energy: -52.825959
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -12.965
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -0.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -78.033132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.033132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.033132 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -30.438
Base-Backbone interact. energy: 0.118
local terms energy: -44.331056
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -9.932
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: 1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -229.444849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.444849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.444849 (E_RNA)
where:
Base-Base interactions energy: -150.064
where: short stacking energy: -80.222
Base-Backbone interact. energy: -0.598
local terms energy: -78.783162
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -12.193
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: 2, replica: 2
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -218.791433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.791433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.791433 (E_RNA)
where:
Base-Base interactions energy: -142.773
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.827
local terms energy: -75.191703
where:
bonds (distance) C4'-P energy: -15.754
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.976
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -18.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -221.371099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.371099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.371099 (E_RNA)
where:
Base-Base interactions energy: -147.397
where: short stacking energy: -69.730
Base-Backbone interact. energy: -0.000
local terms energy: -73.974302
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.769
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -178.614238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.614238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.614238 (E_RNA)
where:
Base-Base interactions energy: -110.447
where: short stacking energy: -57.491
Base-Backbone interact. energy: -0.096
local terms energy: -68.070605
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -192.746712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.746712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.746712 (E_RNA)
where:
Base-Base interactions energy: -135.060
where: short stacking energy: -66.162
Base-Backbone interact. energy: -0.061
local terms energy: -57.625480
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -11.420
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: -15.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -160.027614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.027614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.027614 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.151
local terms energy: -57.699332
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -4.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -162.667291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.667291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.667291 (E_RNA)
where:
Base-Base interactions energy: -106.690
where: short stacking energy: -44.916
Base-Backbone interact. energy: -0.305
local terms energy: -55.672470
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -7.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -94.478552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.478552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.478552 (E_RNA)
where:
Base-Base interactions energy: -37.424
where: short stacking energy: -36.767
Base-Backbone interact. energy: -0.218
local terms energy: -56.836645
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -13.783
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -3.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -80.689504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.689504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.689504 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -31.313
Base-Backbone interact. energy: -0.218
local terms energy: -49.158017
where:
bonds (distance) C4'-P energy: -10.061
bonds (distance) P-C4' energy: -12.328
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -3.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -77.526058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.526058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.526058 (E_RNA)
where:
Base-Base interactions energy: -38.635
where: short stacking energy: -25.861
Base-Backbone interact. energy: -0.397
local terms energy: -38.494512
where:
bonds (distance) C4'-P energy: -10.410
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: 0.015
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: 7
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -232.010141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.010141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.010141 (E_RNA)
where:
Base-Base interactions energy: -145.011
where: short stacking energy: -74.457
Base-Backbone interact. energy: -0.211
local terms energy: -86.788393
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.984
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -232.448881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.448881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.448881 (E_RNA)
where:
Base-Base interactions energy: -152.556
where: short stacking energy: -74.284
Base-Backbone interact. energy: -0.001
local terms energy: -79.891602
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -22.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -215.203402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.203402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.203402 (E_RNA)
where:
Base-Base interactions energy: -141.975
where: short stacking energy: -67.893
Base-Backbone interact. energy: -0.021
local terms energy: -73.206896
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -11.424
tors. eta vs tors. theta energy: -18.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -188.809785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.809785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.809785 (E_RNA)
where:
Base-Base interactions energy: -110.374
where: short stacking energy: -53.447
Base-Backbone interact. energy: -0.001
local terms energy: -78.434914
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -11.762
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: 5, replica: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -179.954992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.954992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.954992 (E_RNA)
where:
Base-Base interactions energy: -126.653
where: short stacking energy: -55.499
Base-Backbone interact. energy: -0.206
local terms energy: -53.095720
where:
bonds (distance) C4'-P energy: -10.427
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -7.522
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -11.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -181.611571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.611571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.611571 (E_RNA)
where:
Base-Base interactions energy: -119.482
where: short stacking energy: -55.948
Base-Backbone interact. energy: 2.136
local terms energy: -64.265480
where:
bonds (distance) C4'-P energy: -15.047
bonds (distance) P-C4' energy: -10.807
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -10.616
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: 7, replica: 5
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -146.011263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.011263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.011263 (E_RNA)
where:
Base-Base interactions energy: -92.179
where: short stacking energy: -49.330
Base-Backbone interact. energy: 1.082
local terms energy: -54.914684
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -7.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -97.682762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.682762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.682762 (E_RNA)
where:
Base-Base interactions energy: -32.616
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.910
local terms energy: -64.156825
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.033
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -9.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -77.359581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.359581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.359581 (E_RNA)
where:
Base-Base interactions energy: -28.231
where: short stacking energy: -23.995
Base-Backbone interact. energy: -0.167
local terms energy: -48.960748
where:
bonds (distance) C4'-P energy: -10.547
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -0.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -76.856649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.856649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.856649 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.435
local terms energy: -42.268459
where:
bonds (distance) C4'-P energy: -11.667
bonds (distance) P-C4' energy: -12.500
flat angles C4'-P-C4' energy: -11.649
flat angles P-C4'-P energy: -7.584
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: 2
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -233.205378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.205378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.205378 (E_RNA)
where:
Base-Base interactions energy: -155.297
where: short stacking energy: -77.779
Base-Backbone interact. energy: -0.006
local terms energy: -77.903007
where:
bonds (distance) C4'-P energy: -14.467
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -234.801552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.801552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.801552 (E_RNA)
where:
Base-Base interactions energy: -152.689
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.002
local terms energy: -82.110123
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -20.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -224.200246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200246 (E_RNA)
where:
Base-Base interactions energy: -152.182
where: short stacking energy: -72.307
Base-Backbone interact. energy: -0.001
local terms energy: -72.017446
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -13.163
flat angles P-C4'-P energy: -9.781
tors. eta vs tors. theta energy: -21.117
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: 288
Temperature: 1.050000
Total energy: -182.563329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.563329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.563329 (E_RNA)
where:
Base-Base interactions energy: -122.145
where: short stacking energy: -55.734
Base-Backbone interact. energy: 0.199
local terms energy: -60.617852
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -13.610
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: -11.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -186.596481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.596481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.596481 (E_RNA)
where:
Base-Base interactions energy: -116.451
where: short stacking energy: -56.019
Base-Backbone interact. energy: 0.028
local terms energy: -70.172563
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -172.920130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.920130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.920130 (E_RNA)
where:
Base-Base interactions energy: -111.863
where: short stacking energy: -49.052
Base-Backbone interact. energy: -0.106
local terms energy: -60.950890
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -12.862
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -11.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -152.894370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.894370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.894370 (E_RNA)
where:
Base-Base interactions energy: -97.168
where: short stacking energy: -45.173
Base-Backbone interact. energy: 0.473
local terms energy: -56.199899
where:
bonds (distance) C4'-P energy: -10.791
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.639
flat angles P-C4'-P energy: -5.474
tors. eta vs tors. theta energy: -9.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -102.118972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.118972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.118972 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -34.404
Base-Backbone interact. energy: -0.775
local terms energy: -51.521182
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -10.610
flat angles P-C4'-P energy: -9.350
tors. eta vs tors. theta energy: -5.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -82.740932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.740932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.740932 (E_RNA)
where:
Base-Base interactions energy: -23.734
where: short stacking energy: -23.734
Base-Backbone interact. energy: -0.128
local terms energy: -58.878301
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -4.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -88.615893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.615893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.615893 (E_RNA)
where:
Base-Base interactions energy: -38.842
where: short stacking energy: -27.194
Base-Backbone interact. energy: -0.177
local terms energy: -49.596554
where:
bonds (distance) C4'-P energy: -8.553
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -232.628782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.628782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.628782 (E_RNA)
where:
Base-Base interactions energy: -151.923
where: short stacking energy: -77.897
Base-Backbone interact. energy: -0.002
local terms energy: -80.704224
where:
bonds (distance) C4'-P energy: -9.714
bonds (distance) P-C4' energy: -18.186
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -221.067583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.067583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.067583 (E_RNA)
where:
Base-Base interactions energy: -147.380
where: short stacking energy: -63.065
Base-Backbone interact. energy: -0.000
local terms energy: -73.687785
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -5.761
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: 3, replica: 7
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -226.849764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.849764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.849764 (E_RNA)
where:
Base-Base interactions energy: -151.076
where: short stacking energy: -78.391
Base-Backbone interact. energy: -0.001
local terms energy: -75.772801
where:
bonds (distance) C4'-P energy: -12.256
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.667
flat angles P-C4'-P energy: -12.745
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: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -187.511252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.511252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.511252 (E_RNA)
where:
Base-Base interactions energy: -124.600
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.073
local terms energy: -62.837758
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -13.049
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -9.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -188.515079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.515079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.515079 (E_RNA)
where:
Base-Base interactions energy: -119.295
where: short stacking energy: -53.960
Base-Backbone interact. energy: -0.017
local terms energy: -69.202835
where:
bonds (distance) C4'-P energy: -13.880
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -17.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -180.107947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.107947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.107947 (E_RNA)
where:
Base-Base interactions energy: -119.853
where: short stacking energy: -48.515
Base-Backbone interact. energy: -0.942
local terms energy: -59.313805
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -14.916
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -6.415
tors. eta vs tors. theta energy: -11.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -187.459591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.459591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.459591 (E_RNA)
where:
Base-Base interactions energy: -120.967
where: short stacking energy: -52.979
Base-Backbone interact. energy: -0.080
local terms energy: -66.412575
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -11.606
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.170
tors. eta vs tors. theta energy: -14.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -92.146719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.146719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.146719 (E_RNA)
where:
Base-Base interactions energy: -44.019
where: short stacking energy: -42.415
Base-Backbone interact. energy: -0.028
local terms energy: -48.098784
where:
bonds (distance) C4'-P energy: -10.670
bonds (distance) P-C4' energy: -11.229
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -4.386
tors. eta vs tors. theta energy: -7.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -92.022988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.022988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.022988 (E_RNA)
where:
Base-Base interactions energy: -39.772
where: short stacking energy: -36.910
Base-Backbone interact. energy: -0.006
local terms energy: -52.244984
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -9.790
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -3.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -72.672478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.672478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.672478 (E_RNA)
where:
Base-Base interactions energy: -30.358
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.765
local terms energy: -41.549098
where:
bonds (distance) C4'-P energy: -11.589
bonds (distance) P-C4' energy: -9.674
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: 1.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -226.425588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.425588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.425588 (E_RNA)
where:
Base-Base interactions energy: -146.486
where: short stacking energy: -66.819
Base-Backbone interact. energy: -0.611
local terms energy: -79.328511
where:
bonds (distance) C4'-P energy: -13.672
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -234.864710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.864710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.864710 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.462
local terms energy: -77.474019
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -9.535
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: 290
Temperature: 1.000000
Total energy: -198.520856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.520856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.520856 (E_RNA)
where:
Base-Base interactions energy: -131.717
where: short stacking energy: -67.583
Base-Backbone interact. energy: -0.117
local terms energy: -66.686454
where:
bonds (distance) C4'-P energy: -10.990
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -8.344
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -204.175613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.175613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.175613 (E_RNA)
where:
Base-Base interactions energy: -135.222
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.456
local terms energy: -68.497559
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -8.240
tors. eta vs tors. theta energy: -19.048
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: 290
Temperature: 1.100000
Total energy: -185.785305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.785305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.785305 (E_RNA)
where:
Base-Base interactions energy: -122.735
where: short stacking energy: -65.092
Base-Backbone interact. energy: -0.597
local terms energy: -62.453109
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -10.886
flat angles P-C4'-P energy: -2.987
tors. eta vs tors. theta energy: -15.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -177.693990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.693990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.693990 (E_RNA)
where:
Base-Base interactions energy: -123.629
where: short stacking energy: -50.304
Base-Backbone interact. energy: -0.222
local terms energy: -53.843051
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -174.811658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.811658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.811658 (E_RNA)
where:
Base-Base interactions energy: -117.344
where: short stacking energy: -46.565
Base-Backbone interact. energy: 0.176
local terms energy: -57.644081
where:
bonds (distance) C4'-P energy: -9.686
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.477
flat angles P-C4'-P energy: -3.477
tors. eta vs tors. theta energy: -10.091
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: 3
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -101.582976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.582976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.582976 (E_RNA)
where:
Base-Base interactions energy: -43.116
where: short stacking energy: -28.828
Base-Backbone interact. energy: 1.175
local terms energy: -59.641993
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -7.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -76.092993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.092993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.092993 (E_RNA)
where:
Base-Base interactions energy: -33.360
where: short stacking energy: -31.273
Base-Backbone interact. energy: 0.411
local terms energy: -43.144495
where:
bonds (distance) C4'-P energy: -10.319
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -5.221
flat angles P-C4'-P energy: -9.757
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: 290
Temperature: 1.350000
Total energy: -78.913602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.913602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.913602 (E_RNA)
where:
Base-Base interactions energy: -30.580
where: short stacking energy: -30.580
Base-Backbone interact. energy: 4.676
local terms energy: -53.010375
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.755
tors. eta vs tors. theta energy: -3.353
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: 10
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -241.175055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.175055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.175055 (E_RNA)
where:
Base-Base interactions energy: -156.344
where: short stacking energy: -76.742
Base-Backbone interact. energy: -0.001
local terms energy: -84.829917
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -230.045421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.045421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.045421 (E_RNA)
where:
Base-Base interactions energy: -150.624
where: short stacking energy: -66.636
Base-Backbone interact. energy: -0.022
local terms energy: -79.399642
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -18.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -198.207547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.207547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.207547 (E_RNA)
where:
Base-Base interactions energy: -127.954
where: short stacking energy: -45.562
Base-Backbone interact. energy: -0.320
local terms energy: -69.932964
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -12.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -196.101968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.101968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.101968 (E_RNA)
where:
Base-Base interactions energy: -136.930
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.751
local terms energy: -58.421020
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -13.011
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -11.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -213.731678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.731678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.731678 (E_RNA)
where:
Base-Base interactions energy: -145.689
where: short stacking energy: -69.614
Base-Backbone interact. energy: 0.147
local terms energy: -68.189681
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.026
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -20.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -182.462075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.462075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.462075 (E_RNA)
where:
Base-Base interactions energy: -114.158
where: short stacking energy: -48.967
Base-Backbone interact. energy: -0.627
local terms energy: -67.677030
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -17.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -111.010742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.010742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.010742 (E_RNA)
where:
Base-Base interactions energy: -45.387
where: short stacking energy: -39.567
Base-Backbone interact. energy: -0.148
local terms energy: -65.475530
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -10.408
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: 8, replica: 3
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -86.305656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.305656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.305656 (E_RNA)
where:
Base-Base interactions energy: -36.722
where: short stacking energy: -23.720
Base-Backbone interact. energy: -0.872
local terms energy: -48.711457
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -18.385
flat angles P-C4'-P energy: -4.061
tors. eta vs tors. theta energy: 3.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -77.086142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.086142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.086142 (E_RNA)
where:
Base-Base interactions energy: -25.067
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.123
local terms energy: -51.896320
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -15.229
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -76.218067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.218067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.218067 (E_RNA)
where:
Base-Base interactions energy: -28.059
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.049
local terms energy: -48.110071
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -12.828
flat angles C4'-P-C4' energy: -7.481
flat angles P-C4'-P energy: -8.849
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: 1, replica: 2
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -229.169642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.169642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.169642 (E_RNA)
where:
Base-Base interactions energy: -151.781
where: short stacking energy: -73.354
Base-Backbone interact. energy: -0.001
local terms energy: -77.387311
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -17.117
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -11.830
tors. eta vs tors. theta energy: -21.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -230.046800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.046800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.046800 (E_RNA)
where:
Base-Base interactions energy: -154.086
where: short stacking energy: -76.728
Base-Backbone interact. energy: -0.086
local terms energy: -75.874650
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -19.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -199.031801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.031801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.031801 (E_RNA)
where:
Base-Base interactions energy: -125.884
where: short stacking energy: -62.885
Base-Backbone interact. energy: 0.526
local terms energy: -73.673671
where:
bonds (distance) C4'-P energy: -16.226
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -200.072573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.072573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.072573 (E_RNA)
where:
Base-Base interactions energy: -127.591
where: short stacking energy: -63.532
Base-Backbone interact. energy: -0.004
local terms energy: -72.477330
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -13.918
flat angles P-C4'-P energy: -12.351
tors. eta vs tors. theta energy: -16.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -224.107810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.107810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.107810 (E_RNA)
where:
Base-Base interactions energy: -145.796
where: short stacking energy: -74.073
Base-Backbone interact. energy: -0.123
local terms energy: -78.188496
where:
bonds (distance) C4'-P energy: -12.447
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -23.579
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: 1
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -184.936598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.936598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.936598 (E_RNA)
where:
Base-Base interactions energy: -123.863
where: short stacking energy: -57.224
Base-Backbone interact. energy: -0.049
local terms energy: -61.025374
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -9.511
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: -13.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -120.019102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.019102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.019102 (E_RNA)
where:
Base-Base interactions energy: -73.024
where: short stacking energy: -47.394
Base-Backbone interact. energy: -0.029
local terms energy: -46.966340
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -9.403
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -5.648
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -88.172649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.172649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.172649 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -27.160
Base-Backbone interact. energy: 0.594
local terms energy: -50.164215
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -9.358
flat angles P-C4'-P energy: -9.064
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: 292
Temperature: 1.300000
Total energy: -90.226801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.226801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.226801 (E_RNA)
where:
Base-Base interactions energy: -31.835
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.076
local terms energy: -58.315586
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -12.870
tors. eta vs tors. theta energy: -1.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -81.417700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.417700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.417700 (E_RNA)
where:
Base-Base interactions energy: -28.249
where: short stacking energy: -28.249
Base-Backbone interact. energy: -0.107
local terms energy: -53.061945
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -4.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -231.649321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.649321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.649321 (E_RNA)
where:
Base-Base interactions energy: -152.770
where: short stacking energy: -73.949
Base-Backbone interact. energy: -0.290
local terms energy: -78.589857
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -6.849
tors. eta vs tors. theta energy: -23.324
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: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -233.420713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.420713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.420713 (E_RNA)
where:
Base-Base interactions energy: -157.867
where: short stacking energy: -81.104
Base-Backbone interact. energy: -0.588
local terms energy: -74.966091
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.747
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: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -208.461988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.461988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.461988 (E_RNA)
where:
Base-Base interactions energy: -138.418
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.286
local terms energy: -69.758161
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -14.852
flat angles C4'-P-C4' energy: -13.977
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -220.012903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.012903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.012903 (E_RNA)
where:
Base-Base interactions energy: -143.010
where: short stacking energy: -68.096
Base-Backbone interact. energy: -0.941
local terms energy: -76.062055
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.352
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -21.910
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: 4
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -184.950431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.950431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.950431 (E_RNA)
where:
Base-Base interactions energy: -109.954
where: short stacking energy: -54.249
Base-Backbone interact. energy: -0.165
local terms energy: -74.831413
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -171.611974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.611974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.611974 (E_RNA)
where:
Base-Base interactions energy: -108.253
where: short stacking energy: -41.664
Base-Backbone interact. energy: -0.302
local terms energy: -63.057249
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -11.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -91.045400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.045400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.045400 (E_RNA)
where:
Base-Base interactions energy: -38.109
where: short stacking energy: -29.856
Base-Backbone interact. energy: -0.112
local terms energy: -52.824563
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -11.573
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -119.470722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.470722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.470722 (E_RNA)
where:
Base-Base interactions energy: -64.089
where: short stacking energy: -32.132
Base-Backbone interact. energy: -1.606
local terms energy: -53.775181
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -0.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -95.218802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.218802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.218802 (E_RNA)
where:
Base-Base interactions energy: -42.532
where: short stacking energy: -37.675
Base-Backbone interact. energy: -0.011
local terms energy: -52.675579
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -17.641
flat angles P-C4'-P energy: 1.038
tors. eta vs tors. theta energy: -9.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -85.256243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.256243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.256243 (E_RNA)
where:
Base-Base interactions energy: -38.925
where: short stacking energy: -27.497
Base-Backbone interact. energy: -1.373
local terms energy: -44.958190
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -10.704
flat angles C4'-P-C4' energy: -7.782
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -5.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -226.935491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.935491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.935491 (E_RNA)
where:
Base-Base interactions energy: -148.988
where: short stacking energy: -73.840
Base-Backbone interact. energy: -0.001
local terms energy: -77.946981
where:
bonds (distance) C4'-P energy: -11.425
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -19.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -227.108737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.108737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.108737 (E_RNA)
where:
Base-Base interactions energy: -150.835
where: short stacking energy: -71.844
Base-Backbone interact. energy: -0.283
local terms energy: -75.990974
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.077
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -21.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -222.833580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.833580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.833580 (E_RNA)
where:
Base-Base interactions energy: -147.414
where: short stacking energy: -71.263
Base-Backbone interact. energy: -1.162
local terms energy: -74.257261
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -19.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -206.327473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.327473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.327473 (E_RNA)
where:
Base-Base interactions energy: -143.647
where: short stacking energy: -62.291
Base-Backbone interact. energy: 1.419
local terms energy: -64.099869
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -15.805
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -179.040554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.040554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.040554 (E_RNA)
where:
Base-Base interactions energy: -111.422
where: short stacking energy: -49.882
Base-Backbone interact. energy: -0.180
local terms energy: -67.438830
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -14.875
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -9.010
tors. eta vs tors. theta energy: -11.673
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: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -167.780512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.780512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.780512 (E_RNA)
where:
Base-Base interactions energy: -112.869
where: short stacking energy: -44.303
Base-Backbone interact. energy: 0.601
local terms energy: -55.512562
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -8.135
flat angles P-C4'-P energy: -5.639
tors. eta vs tors. theta energy: -10.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -103.934287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934287 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.539
local terms energy: -52.496479
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -10.735
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -1.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -89.405025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.405025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.405025 (E_RNA)
where:
Base-Base interactions energy: -49.647
where: short stacking energy: -21.136
Base-Backbone interact. energy: -0.457
local terms energy: -39.301102
where:
bonds (distance) C4'-P energy: -9.619
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -8.260
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -94.257538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.257538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.257538 (E_RNA)
where:
Base-Base interactions energy: -39.706
where: short stacking energy: -37.232
Base-Backbone interact. energy: -0.018
local terms energy: -54.534202
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -11.642
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -3.143
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -85.000846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.000846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.000846 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.125
local terms energy: -49.951226
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -10.500
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -8.024
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: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -231.892774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.892774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.892774 (E_RNA)
where:
Base-Base interactions energy: -152.955
where: short stacking energy: -71.736
Base-Backbone interact. energy: -0.290
local terms energy: -78.647180
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -14.635
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: 7
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -223.673523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.673523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.673523 (E_RNA)
where:
Base-Base interactions energy: -150.225
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.001
local terms energy: -73.447928
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -11.853
flat angles P-C4'-P energy: -13.104
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: 3, replica: 2
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -225.177659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.177659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.177659 (E_RNA)
where:
Base-Base interactions energy: -154.592
where: short stacking energy: -69.661
Base-Backbone interact. energy: -0.047
local terms energy: -70.538779
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -197.972304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.972304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.972304 (E_RNA)
where:
Base-Base interactions energy: -126.997
where: short stacking energy: -60.572
Base-Backbone interact. energy: -0.008
local terms energy: -70.967905
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -184.010098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.010098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.010098 (E_RNA)
where:
Base-Base interactions energy: -115.195
where: short stacking energy: -55.469
Base-Backbone interact. energy: 0.655
local terms energy: -69.469444
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -15.116
flat angles C4'-P-C4' energy: -16.999
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -171.259368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.259368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.259368 (E_RNA)
where:
Base-Base interactions energy: -109.599
where: short stacking energy: -40.953
Base-Backbone interact. energy: -1.184
local terms energy: -60.476014
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -7.201
tors. eta vs tors. theta energy: -8.684
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: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -116.181304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.181304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.181304 (E_RNA)
where:
Base-Base interactions energy: -52.645
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.504
local terms energy: -63.031700
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -9.520
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: 8, replica: 8
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -79.102758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.102758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.102758 (E_RNA)
where:
Base-Base interactions energy: -31.741
where: short stacking energy: -30.555
Base-Backbone interact. energy: -0.213
local terms energy: -47.148173
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -8.203
tors. eta vs tors. theta energy: 0.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -97.129641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129641 (E_RNA)
where:
Base-Base interactions energy: -43.839
where: short stacking energy: -36.246
Base-Backbone interact. energy: -0.082
local terms energy: -53.208987
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -9.479
flat angles P-C4'-P energy: -11.272
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: 10, replica: 9
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -71.858955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.858955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.858955 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -26.284
Base-Backbone interact. energy: -0.194
local terms energy: -45.057566
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -13.531
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -6.312
tors. eta vs tors. theta energy: -1.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -226.574505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.574505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.574505 (E_RNA)
where:
Base-Base interactions energy: -155.120
where: short stacking energy: -75.164
Base-Backbone interact. energy: -0.134
local terms energy: -71.321188
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -8.299
tors. eta vs tors. theta energy: -19.634
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -224.225194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.225194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.225194 (E_RNA)
where:
Base-Base interactions energy: -145.282
where: short stacking energy: -66.209
Base-Backbone interact. energy: -0.610
local terms energy: -78.333204
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -15.141
flat angles C4'-P-C4' energy: -15.468
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.515
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: 4
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -213.111975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.111975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.111975 (E_RNA)
where:
Base-Base interactions energy: -146.940
where: short stacking energy: -57.089
Base-Backbone interact. energy: -0.212
local terms energy: -65.960038
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -220.561893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.561893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.561893 (E_RNA)
where:
Base-Base interactions energy: -147.213
where: short stacking energy: -70.935
Base-Backbone interact. energy: 0.680
local terms energy: -74.028841
where:
bonds (distance) C4'-P energy: -11.030
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -18.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -178.914895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.914895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.914895 (E_RNA)
where:
Base-Base interactions energy: -114.946
where: short stacking energy: -50.689
Base-Backbone interact. energy: -0.103
local terms energy: -63.865115
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -6.993
tors. eta vs tors. theta energy: -11.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -183.662537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.662537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.662537 (E_RNA)
where:
Base-Base interactions energy: -113.765
where: short stacking energy: -56.776
Base-Backbone interact. energy: 1.172
local terms energy: -71.069493
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -93.745208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.745208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.745208 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -37.269
Base-Backbone interact. energy: -0.158
local terms energy: -56.317883
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -5.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.902305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.902305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.902305 (E_RNA)
where:
Base-Base interactions energy: -36.557
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.191
local terms energy: -53.154184
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -3.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -75.793394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.793394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.793394 (E_RNA)
where:
Base-Base interactions energy: -22.882
where: short stacking energy: -22.068
Base-Backbone interact. energy: -0.138
local terms energy: -52.773221
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -6.635
tors. eta vs tors. theta energy: -5.697
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: 5
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -76.291069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.291069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.291069 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -21.085
Base-Backbone interact. energy: -0.206
local terms energy: -45.248901
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -11.310
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -3.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -230.927280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.927280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.927280 (E_RNA)
where:
Base-Base interactions energy: -155.814
where: short stacking energy: -80.851
Base-Backbone interact. energy: -0.001
local terms energy: -75.112419
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -9.049
tors. eta vs tors. theta energy: -21.456
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: 10
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -227.311083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.311083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.311083 (E_RNA)
where:
Base-Base interactions energy: -151.738
where: short stacking energy: -72.358
Base-Backbone interact. energy: -0.072
local terms energy: -75.501288
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -23.088
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: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -205.750818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.750818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.750818 (E_RNA)
where:
Base-Base interactions energy: -141.638
where: short stacking energy: -58.030
Base-Backbone interact. energy: 1.076
local terms energy: -65.188882
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -12.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -192.530702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.530702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.530702 (E_RNA)
where:
Base-Base interactions energy: -131.189
where: short stacking energy: -53.973
Base-Backbone interact. energy: -0.192
local terms energy: -61.149382
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -13.793
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -4.232
tors. eta vs tors. theta energy: -18.293
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: 5, replica: 2
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -193.236437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.236437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.236437 (E_RNA)
where:
Base-Base interactions energy: -124.919
where: short stacking energy: -63.336
Base-Backbone interact. energy: -0.760
local terms energy: -67.558274
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -6.668
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -100.547091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.547091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.547091 (E_RNA)
where:
Base-Base interactions energy: -46.684
where: short stacking energy: -36.725
Base-Backbone interact. energy: -0.034
local terms energy: -53.828371
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -12.232
tors. eta vs tors. theta energy: -3.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -174.057113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.057113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.057113 (E_RNA)
where:
Base-Base interactions energy: -114.707
where: short stacking energy: -53.172
Base-Backbone interact. energy: 3.475
local terms energy: -62.824790
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -17.776
flat angles P-C4'-P energy: -8.165
tors. eta vs tors. theta energy: -13.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -85.495714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.495714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.495714 (E_RNA)
where:
Base-Base interactions energy: -33.586
where: short stacking energy: -32.280
Base-Backbone interact. energy: -0.276
local terms energy: -51.633808
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -6.734
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: 9
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -85.653472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.653472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.653472 (E_RNA)
where:
Base-Base interactions energy: -27.017
where: short stacking energy: -27.017
Base-Backbone interact. energy: 0.662
local terms energy: -59.298726
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -81.797963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.797963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.797963 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -29.602
Base-Backbone interact. energy: -0.336
local terms energy: -43.418775
where:
bonds (distance) C4'-P energy: -7.976
bonds (distance) P-C4' energy: -12.115
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -5.957
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: 10
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -226.450698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.450698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.450698 (E_RNA)
where:
Base-Base interactions energy: -151.616
where: short stacking energy: -72.350
Base-Backbone interact. energy: -0.309
local terms energy: -74.526319
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.371
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: 2, replica: 7
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -232.486969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.486969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.486969 (E_RNA)
where:
Base-Base interactions energy: -152.820
where: short stacking energy: -75.021
Base-Backbone interact. energy: -0.002
local terms energy: -79.664777
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -23.752
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: 298
Temperature: 1.000000
Total energy: -198.487040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.487040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.487040 (E_RNA)
where:
Base-Base interactions energy: -132.797
where: short stacking energy: -55.149
Base-Backbone interact. energy: -0.420
local terms energy: -65.270768
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -6.573
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: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -187.525564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.525564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.525564 (E_RNA)
where:
Base-Base interactions energy: -120.867
where: short stacking energy: -56.619
Base-Backbone interact. energy: -0.253
local terms energy: -66.405779
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -15.519
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -16.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -185.816690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.816690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.816690 (E_RNA)
where:
Base-Base interactions energy: -128.601
where: short stacking energy: -55.124
Base-Backbone interact. energy: -0.284
local terms energy: -56.932362
where:
bonds (distance) C4'-P energy: -9.515
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -10.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -105.979461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.979461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.979461 (E_RNA)
where:
Base-Base interactions energy: -51.829
where: short stacking energy: -30.456
Base-Backbone interact. energy: 1.387
local terms energy: -55.537519
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -0.411
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: 6
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -183.639330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.639330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.639330 (E_RNA)
where:
Base-Base interactions energy: -110.182
where: short stacking energy: -48.014
Base-Backbone interact. energy: -0.002
local terms energy: -73.454800
where:
bonds (distance) C4'-P energy: -15.142
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -16.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -85.553239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.553239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.553239 (E_RNA)
where:
Base-Base interactions energy: -31.390
where: short stacking energy: -25.623
Base-Backbone interact. energy: -0.152
local terms energy: -54.011488
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -4.297
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: 5
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -74.838297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.838297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.838297 (E_RNA)
where:
Base-Base interactions energy: -28.649
where: short stacking energy: -28.571
Base-Backbone interact. energy: 5.372
local terms energy: -51.560973
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -11.014
flat angles C4'-P-C4' energy: -9.722
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -97.933971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.933971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.933971 (E_RNA)
where:
Base-Base interactions energy: -56.413
where: short stacking energy: -25.806
Base-Backbone interact. energy: -0.158
local terms energy: -41.363208
where:
bonds (distance) C4'-P energy: -10.407
bonds (distance) P-C4' energy: -11.949
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -1.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -231.430364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.430364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.430364 (E_RNA)
where:
Base-Base interactions energy: -153.950
where: short stacking energy: -70.309
Base-Backbone interact. energy: -0.288
local terms energy: -77.192634
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -9.998
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: 2, replica: 7
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -226.313256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.313256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.313256 (E_RNA)
where:
Base-Base interactions energy: -151.656
where: short stacking energy: -77.311
Base-Backbone interact. energy: -0.198
local terms energy: -74.459939
where:
bonds (distance) C4'-P energy: -13.436
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -20.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -197.712667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.712667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.712667 (E_RNA)
where:
Base-Base interactions energy: -130.872
where: short stacking energy: -70.817
Base-Backbone interact. energy: -0.004
local terms energy: -66.836124
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -7.694
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -8.663
tors. eta vs tors. theta energy: -18.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -198.672167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.672167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.672167 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -61.099
Base-Backbone interact. energy: -0.001
local terms energy: -75.128017
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -218.203017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.203017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.203017 (E_RNA)
where:
Base-Base interactions energy: -145.140
where: short stacking energy: -71.560
Base-Backbone interact. energy: -0.216
local terms energy: -72.847088
where:
bonds (distance) C4'-P energy: -15.109
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -7.164
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -172.185904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.185904 (E_RNA)
where:
Base-Base interactions energy: -111.561
where: short stacking energy: -50.841
Base-Backbone interact. energy: -0.010
local terms energy: -60.614561
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -9.123
flat angles P-C4'-P energy: -7.600
tors. eta vs tors. theta energy: -16.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -88.903778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.903778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.903778 (E_RNA)
where:
Base-Base interactions energy: -34.121
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.895
local terms energy: -53.887025
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -14.420
flat angles P-C4'-P energy: -5.486
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: 8, replica: 3
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -103.061270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.061270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.061270 (E_RNA)
where:
Base-Base interactions energy: -51.397
where: short stacking energy: -48.601
Base-Backbone interact. energy: 0.001
local terms energy: -51.665580
where:
bonds (distance) C4'-P energy: -8.888
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -10.363
flat angles P-C4'-P energy: -11.890
tors. eta vs tors. theta energy: -9.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.485331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.485331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.485331 (E_RNA)
where:
Base-Base interactions energy: -43.290
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.158
local terms energy: -42.037722
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -8.187
flat angles C4'-P-C4' energy: -9.932
flat angles P-C4'-P energy: -2.894
tors. eta vs tors. theta energy: -6.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -122.039960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.039960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.039960 (E_RNA)
where:
Base-Base interactions energy: -85.459
where: short stacking energy: -36.994
Base-Backbone interact. energy: 0.151
local terms energy: -36.732004
where:
bonds (distance) C4'-P energy: -6.172
bonds (distance) P-C4' energy: -8.783
flat angles C4'-P-C4' energy: -15.219
flat angles P-C4'-P energy: -4.265
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -227.141123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.141123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.141123 (E_RNA)
where:
Base-Base interactions energy: -148.066
where: short stacking energy: -67.704
Base-Backbone interact. energy: -0.030
local terms energy: -79.045623
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -12.719
tors. eta vs tors. theta energy: -19.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -224.478695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.478695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.478695 (E_RNA)
where:
Base-Base interactions energy: -151.713
where: short stacking energy: -74.071
Base-Backbone interact. energy: -0.041
local terms energy: -72.724053
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -17.488
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -208.013049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.013049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.013049 (E_RNA)
where:
Base-Base interactions energy: -134.316
where: short stacking energy: -60.468
Base-Backbone interact. energy: -0.007
local terms energy: -73.690124
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -13.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -189.689389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.689389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.689389 (E_RNA)
where:
Base-Base interactions energy: -119.497
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.072
local terms energy: -70.120987
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -11.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -189.807365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.807365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.807365 (E_RNA)
where:
Base-Base interactions energy: -120.700
where: short stacking energy: -53.269
Base-Backbone interact. energy: -0.536
local terms energy: -68.571065
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -13.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -199.688543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.688543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.688543 (E_RNA)
where:
Base-Base interactions energy: -131.004
where: short stacking energy: -68.229
Base-Backbone interact. energy: -0.728
local terms energy: -67.956170
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -6.632
tors. eta vs tors. theta energy: -22.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -97.153693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.153693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.153693 (E_RNA)
where:
Base-Base interactions energy: -38.455
where: short stacking energy: -38.455
Base-Backbone interact. energy: -0.036
local terms energy: -58.662761
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -9.458
flat angles C4'-P-C4' energy: -11.623
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -10.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -90.365599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.365599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.365599 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -22.427
Base-Backbone interact. energy: -0.239
local terms energy: -55.954322
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -11.023
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -3.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -81.601874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.601874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.601874 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -37.482
Base-Backbone interact. energy: -0.057
local terms energy: -41.555684
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -7.127
flat angles P-C4'-P energy: -5.566
tors. eta vs tors. theta energy: -5.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -94.264728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264728 (E_RNA)
where:
Base-Base interactions energy: -44.338
where: short stacking energy: -39.857
Base-Backbone interact. energy: -0.207
local terms energy: -49.719882
where:
bonds (distance) C4'-P energy: -13.733
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.405
tors. eta vs tors. theta energy: -4.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -226.019899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.019899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.019899 (E_RNA)
where:
Base-Base interactions energy: -145.798
where: short stacking energy: -73.599
Base-Backbone interact. energy: -0.020
local terms energy: -80.202109
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -19.239
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: 4
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -205.890892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.890892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.890892 (E_RNA)
where:
Base-Base interactions energy: -137.510
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.010
local terms energy: -68.371175
where:
bonds (distance) C4'-P energy: -9.917
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -14.076
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -16.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -216.259223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.259223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.259223 (E_RNA)
where:
Base-Base interactions energy: -142.784
where: short stacking energy: -67.404
Base-Backbone interact. energy: -0.002
local terms energy: -73.472837
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -20.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -190.378392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.378392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.378392 (E_RNA)
where:
Base-Base interactions energy: -121.512
where: short stacking energy: -59.967
Base-Backbone interact. energy: -0.371
local terms energy: -68.494854
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -12.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -181.617990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.617990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.617990 (E_RNA)
where:
Base-Base interactions energy: -112.749
where: short stacking energy: -56.964
Base-Backbone interact. energy: -0.342
local terms energy: -68.526811
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -13.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -204.980965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.980965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.980965 (E_RNA)
where:
Base-Base interactions energy: -132.727
where: short stacking energy: -61.503
Base-Backbone interact. energy: -0.042
local terms energy: -72.212332
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -10.536
flat angles P-C4'-P energy: -13.256
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: 7, replica: 3
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -97.586448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.586448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.586448 (E_RNA)
where:
Base-Base interactions energy: -44.936
where: short stacking energy: -42.941
Base-Backbone interact. energy: -0.175
local terms energy: -52.476210
where:
bonds (distance) C4'-P energy: -12.989
bonds (distance) P-C4' energy: -8.223
flat angles C4'-P-C4' energy: -17.246
flat angles P-C4'-P energy: -6.450
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -86.535474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.535474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.535474 (E_RNA)
where:
Base-Base interactions energy: -40.108
where: short stacking energy: -17.275
Base-Backbone interact. energy: 0.400
local terms energy: -46.826891
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -8.379
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: 9, replica: 8
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -83.544419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.544419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.544419 (E_RNA)
where:
Base-Base interactions energy: -38.916
where: short stacking energy: -38.665
Base-Backbone interact. energy: -0.157
local terms energy: -44.471421
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -11.936
flat angles C4'-P-C4' energy: -8.795
flat angles P-C4'-P energy: -2.800
tors. eta vs tors. theta energy: -6.499
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: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -80.922184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.922184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.922184 (E_RNA)
where:
Base-Base interactions energy: -37.053
where: short stacking energy: -37.053
Base-Backbone interact. energy: 2.267
local terms energy: -46.136480
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -8.627
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -5.913
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: 10
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -231.281056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.281056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.281056 (E_RNA)
where:
Base-Base interactions energy: -155.047
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.038
local terms energy: -76.196174
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -18.022
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: 2, replica: 4
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -199.815323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.815323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.815323 (E_RNA)
where:
Base-Base interactions energy: -136.164
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.081
local terms energy: -63.570127
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -13.211
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -214.440279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.440279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.440279 (E_RNA)
where:
Base-Base interactions energy: -141.008
where: short stacking energy: -65.282
Base-Backbone interact. energy: -0.123
local terms energy: -73.309333
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -7.533
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: 4, replica: 6
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -192.566502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.566502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.566502 (E_RNA)
where:
Base-Base interactions energy: -115.250
where: short stacking energy: -61.413
Base-Backbone interact. energy: -0.125
local terms energy: -77.191423
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -14.308
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: 5, replica: 2
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -210.841409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.841409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.841409 (E_RNA)
where:
Base-Base interactions energy: -139.015
where: short stacking energy: -72.587
Base-Backbone interact. energy: -0.047
local terms energy: -71.779357
where:
bonds (distance) C4'-P energy: -13.088
bonds (distance) P-C4' energy: -12.218
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -193.388078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.388078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.388078 (E_RNA)
where:
Base-Base interactions energy: -123.839
where: short stacking energy: -62.587
Base-Backbone interact. energy: -0.001
local terms energy: -69.547228
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -10.458
flat angles C4'-P-C4' energy: -14.505
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -16.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -96.520626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.520626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.520626 (E_RNA)
where:
Base-Base interactions energy: -36.910
where: short stacking energy: -36.910
Base-Backbone interact. energy: -0.124
local terms energy: -59.486195
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -5.097
tors. eta vs tors. theta energy: -9.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -87.956154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.956154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.956154 (E_RNA)
where:
Base-Base interactions energy: -35.677
where: short stacking energy: -29.843
Base-Backbone interact. energy: 0.432
local terms energy: -52.710660
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.279
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -4.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -79.153874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.153874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.153874 (E_RNA)
where:
Base-Base interactions energy: -34.391
where: short stacking energy: -27.223
Base-Backbone interact. energy: -0.034
local terms energy: -44.728256
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -9.693
flat angles P-C4'-P energy: -5.035
tors. eta vs tors. theta energy: -0.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -91.024028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.024028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.024028 (E_RNA)
where:
Base-Base interactions energy: -43.898
where: short stacking energy: -41.912
Base-Backbone interact. energy: -0.910
local terms energy: -46.215649
where:
bonds (distance) C4'-P energy: -11.237
bonds (distance) P-C4' energy: -7.621
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -8.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -229.351628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.351628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.351628 (E_RNA)
where:
Base-Base interactions energy: -151.891
where: short stacking energy: -73.570
Base-Backbone interact. energy: -0.868
local terms energy: -76.593315
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -16.931
flat angles P-C4'-P energy: -11.071
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: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -216.823719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.823719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.823719 (E_RNA)
where:
Base-Base interactions energy: -141.604
where: short stacking energy: -70.178
Base-Backbone interact. energy: -0.657
local terms energy: -74.562501
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -222.822011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.822011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.822011 (E_RNA)
where:
Base-Base interactions energy: -143.842
where: short stacking energy: -62.311
Base-Backbone interact. energy: -0.709
local terms energy: -78.271302
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -17.535
flat angles C4'-P-C4' energy: -14.056
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -17.999
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: 2
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -213.332796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.332796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.332796 (E_RNA)
where:
Base-Base interactions energy: -140.924
where: short stacking energy: -67.904
Base-Backbone interact. energy: -0.689
local terms energy: -71.718864
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -18.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -182.585612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.585612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.585612 (E_RNA)
where:
Base-Base interactions energy: -119.372
where: short stacking energy: -58.717
Base-Backbone interact. energy: -0.106
local terms energy: -63.107367
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -12.241
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: 6, replica: 1
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -168.810562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.810562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.810562 (E_RNA)
where:
Base-Base interactions energy: -100.788
where: short stacking energy: -51.471
Base-Backbone interact. energy: -0.062
local terms energy: -67.960381
where:
bonds (distance) C4'-P energy: -15.154
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -11.591
tors. eta vs tors. theta energy: -10.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -94.432114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.432114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.432114 (E_RNA)
where:
Base-Base interactions energy: -49.910
where: short stacking energy: -38.280
Base-Backbone interact. energy: -0.308
local terms energy: -44.214171
where:
bonds (distance) C4'-P energy: -8.234
bonds (distance) P-C4' energy: -11.497
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -6.328
tors. eta vs tors. theta energy: -5.870
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: 303
Temperature: 1.250000
Total energy: -96.375634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.375634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.375634 (E_RNA)
where:
Base-Base interactions energy: -51.864
where: short stacking energy: -27.676
Base-Backbone interact. energy: -0.151
local terms energy: -44.360491
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -0.858
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: 3
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -88.297372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.297372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.297372 (E_RNA)
where:
Base-Base interactions energy: -39.679
where: short stacking energy: -23.260
Base-Backbone interact. energy: -0.181
local terms energy: -48.437623
where:
bonds (distance) C4'-P energy: -12.963
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: 1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -83.808401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.808401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.808401 (E_RNA)
where:
Base-Base interactions energy: -35.681
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.243
local terms energy: -47.883686
where:
bonds (distance) C4'-P energy: -5.234
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -9.085
flat angles P-C4'-P energy: -8.526
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: 1, replica: 10
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -224.944126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944126 (E_RNA)
where:
Base-Base interactions energy: -145.150
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.006
local terms energy: -79.788909
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -10.977
tors. eta vs tors. theta energy: -19.126
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -216.068642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068642 (E_RNA)
where:
Base-Base interactions energy: -149.047
where: short stacking energy: -64.551
Base-Backbone interact. energy: -0.320
local terms energy: -66.701485
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -15.894
flat angles P-C4'-P energy: -9.423
tors. eta vs tors. theta energy: -16.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -206.264608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.264608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.264608 (E_RNA)
where:
Base-Base interactions energy: -143.294
where: short stacking energy: -65.938
Base-Backbone interact. energy: -0.629
local terms energy: -62.342216
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -13.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -214.790788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.790788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.790788 (E_RNA)
where:
Base-Base interactions energy: -143.620
where: short stacking energy: -64.270
Base-Backbone interact. energy: -0.738
local terms energy: -70.433212
where:
bonds (distance) C4'-P energy: -16.628
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -7.141
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: 5, replica: 6
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -188.060567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.060567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.060567 (E_RNA)
where:
Base-Base interactions energy: -116.260
where: short stacking energy: -59.879
Base-Backbone interact. energy: -0.046
local terms energy: -71.754688
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.418
tors. eta vs tors. theta energy: -15.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -158.264882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.264882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.264882 (E_RNA)
where:
Base-Base interactions energy: -100.875
where: short stacking energy: -51.251
Base-Backbone interact. energy: 0.578
local terms energy: -57.967977
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -9.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -130.624932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.624932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.624932 (E_RNA)
where:
Base-Base interactions energy: -75.994
where: short stacking energy: -42.751
Base-Backbone interact. energy: -0.726
local terms energy: -53.904831
where:
bonds (distance) C4'-P energy: -12.361
bonds (distance) P-C4' energy: -13.343
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -8.094
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: 8, replica: 9
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -83.630540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.630540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.630540 (E_RNA)
where:
Base-Base interactions energy: -35.640
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.048
local terms energy: -47.942334
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -9.629
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -7.173
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: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -100.573216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.573216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.573216 (E_RNA)
where:
Base-Base interactions energy: -56.092
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.109
local terms energy: -44.372036
where:
bonds (distance) C4'-P energy: -11.420
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -2.799
tors. eta vs tors. theta energy: -4.729
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: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -70.046046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.046046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.046046 (E_RNA)
where:
Base-Base interactions energy: -21.841
where: short stacking energy: -17.177
Base-Backbone interact. energy: 0.654
local terms energy: -48.858579
where:
bonds (distance) C4'-P energy: -9.681
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -6.171
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: 1, replica: 10
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -224.899471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.899471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.899471 (E_RNA)
where:
Base-Base interactions energy: -141.207
where: short stacking energy: -70.550
Base-Backbone interact. energy: -0.000
local terms energy: -83.692018
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -21.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -211.571799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.571799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.571799 (E_RNA)
where:
Base-Base interactions energy: -149.640
where: short stacking energy: -66.452
Base-Backbone interact. energy: -0.025
local terms energy: -61.907220
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -9.328
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -8.309
tors. eta vs tors. theta energy: -14.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -210.095636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.095636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.095636 (E_RNA)
where:
Base-Base interactions energy: -133.616
where: short stacking energy: -65.980
Base-Backbone interact. energy: -0.009
local terms energy: -76.470845
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -9.384
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -12.215
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: 4, replica: 6
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -185.040996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.040996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.040996 (E_RNA)
where:
Base-Base interactions energy: -113.800
where: short stacking energy: -48.560
Base-Backbone interact. energy: -0.411
local terms energy: -70.829945
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -10.553
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: 2
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -205.682502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.682502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.682502 (E_RNA)
where:
Base-Base interactions energy: -129.924
where: short stacking energy: -63.507
Base-Backbone interact. energy: -0.951
local terms energy: -74.807745
where:
bonds (distance) C4'-P energy: -16.669
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -165.948661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.948661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.948661 (E_RNA)
where:
Base-Base interactions energy: -106.879
where: short stacking energy: -49.676
Base-Backbone interact. energy: -0.128
local terms energy: -58.941775
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -12.593
flat angles P-C4'-P energy: -7.282
tors. eta vs tors. theta energy: -12.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -149.443279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.443279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.443279 (E_RNA)
where:
Base-Base interactions energy: -92.948
where: short stacking energy: -44.375
Base-Backbone interact. energy: -0.722
local terms energy: -55.772972
where:
bonds (distance) C4'-P energy: -14.355
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -6.650
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: 3
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -77.958577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.958577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.958577 (E_RNA)
where:
Base-Base interactions energy: -27.505
where: short stacking energy: -28.779
Base-Backbone interact. energy: -0.273
local terms energy: -50.180522
where:
bonds (distance) C4'-P energy: -6.920
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -2.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -77.805532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.805532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.805532 (E_RNA)
where:
Base-Base interactions energy: -26.972
where: short stacking energy: -26.972
Base-Backbone interact. energy: -0.227
local terms energy: -50.607089
where:
bonds (distance) C4'-P energy: -8.881
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.617
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: -2.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -70.701914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.701914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.701914 (E_RNA)
where:
Base-Base interactions energy: -27.051
where: short stacking energy: -26.224
Base-Backbone interact. energy: -0.525
local terms energy: -43.125822
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -6.412
flat angles P-C4'-P energy: -7.670
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: 10
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -224.083631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.083631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.083631 (E_RNA)
where:
Base-Base interactions energy: -142.270
where: short stacking energy: -72.343
Base-Backbone interact. energy: -0.015
local terms energy: -81.798584
where:
bonds (distance) C4'-P energy: -14.454
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -219.476025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.476025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.476025 (E_RNA)
where:
Base-Base interactions energy: -148.268
where: short stacking energy: -67.190
Base-Backbone interact. energy: -0.471
local terms energy: -70.736076
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -14.244
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -18.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -219.169834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.169834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.169834 (E_RNA)
where:
Base-Base interactions energy: -142.606
where: short stacking energy: -59.805
Base-Backbone interact. energy: -0.205
local terms energy: -76.359078
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -9.913
tors. eta vs tors. theta energy: -18.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -196.178244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.178244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.178244 (E_RNA)
where:
Base-Base interactions energy: -125.004
where: short stacking energy: -63.816
Base-Backbone interact. energy: -0.000
local terms energy: -71.173575
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -5.700
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: 5, replica: 2
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -213.775465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.775465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.775465 (E_RNA)
where:
Base-Base interactions energy: -146.154
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.001
local terms energy: -67.621044
where:
bonds (distance) C4'-P energy: -14.570
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -12.770
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -20.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -175.574635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.574635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.574635 (E_RNA)
where:
Base-Base interactions energy: -115.116
where: short stacking energy: -53.520
Base-Backbone interact. energy: -0.093
local terms energy: -60.365521
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -6.748
tors. eta vs tors. theta energy: -14.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -130.271941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.271941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.271941 (E_RNA)
where:
Base-Base interactions energy: -79.296
where: short stacking energy: -43.576
Base-Backbone interact. energy: -0.258
local terms energy: -50.717626
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -11.474
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -3.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -100.589766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.589766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.589766 (E_RNA)
where:
Base-Base interactions energy: -49.135
where: short stacking energy: -16.299
Base-Backbone interact. energy: -0.064
local terms energy: -51.390718
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -13.552
flat angles C4'-P-C4' energy: -8.400
flat angles P-C4'-P energy: -10.741
tors. eta vs tors. theta energy: -3.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -76.816602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.816602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.816602 (E_RNA)
where:
Base-Base interactions energy: -38.969
where: short stacking energy: -28.065
Base-Backbone interact. energy: -0.319
local terms energy: -37.528315
where:
bonds (distance) C4'-P energy: -8.500
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -4.213
tors. eta vs tors. theta energy: 0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -79.018391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.018391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.018391 (E_RNA)
where:
Base-Base interactions energy: -33.641
where: short stacking energy: -23.857
Base-Backbone interact. energy: -0.069
local terms energy: -45.307965
where:
bonds (distance) C4'-P energy: -10.653
bonds (distance) P-C4' energy: -8.455
flat angles C4'-P-C4' energy: -14.246
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -3.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -233.012174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.012174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.012174 (E_RNA)
where:
Base-Base interactions energy: -150.260
where: short stacking energy: -77.270
Base-Backbone interact. energy: -0.160
local terms energy: -82.593004
where:
bonds (distance) C4'-P energy: -14.364
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -13.680
tors. eta vs tors. theta energy: -21.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -210.748852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.748852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.748852 (E_RNA)
where:
Base-Base interactions energy: -142.284
where: short stacking energy: -59.914
Base-Backbone interact. energy: -0.142
local terms energy: -68.323424
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -16.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -220.120660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.120660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.120660 (E_RNA)
where:
Base-Base interactions energy: -139.850
where: short stacking energy: -65.108
Base-Backbone interact. energy: -0.024
local terms energy: -80.246664
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -20.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -217.748274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.748274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.748274 (E_RNA)
where:
Base-Base interactions energy: -141.840
where: short stacking energy: -74.155
Base-Backbone interact. energy: -0.085
local terms energy: -75.823912
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -20.026
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: 6
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -175.828696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.828696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.828696 (E_RNA)
where:
Base-Base interactions energy: -113.664
where: short stacking energy: -50.854
Base-Backbone interact. energy: -0.075
local terms energy: -62.089634
where:
bonds (distance) C4'-P energy: -8.475
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -13.192
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -11.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -174.232086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.232086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.232086 (E_RNA)
where:
Base-Base interactions energy: -117.779
where: short stacking energy: -54.767
Base-Backbone interact. energy: -0.034
local terms energy: -56.418985
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -7.460
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -9.066
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -127.092892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.092892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.092892 (E_RNA)
where:
Base-Base interactions energy: -76.642
where: short stacking energy: -45.172
Base-Backbone interact. energy: -0.133
local terms energy: -50.317971
where:
bonds (distance) C4'-P energy: -13.423
bonds (distance) P-C4' energy: -8.801
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -6.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -82.233486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.233486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.233486 (E_RNA)
where:
Base-Base interactions energy: -30.757
where: short stacking energy: -21.632
Base-Backbone interact. energy: -0.292
local terms energy: -51.184497
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: 3.660
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: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -82.948062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.948062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.948062 (E_RNA)
where:
Base-Base interactions energy: -28.614
where: short stacking energy: -28.614
Base-Backbone interact. energy: -0.031
local terms energy: -54.302690
where:
bonds (distance) C4'-P energy: -10.897
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: -8.729
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: 9
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -85.079703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.079703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.079703 (E_RNA)
where:
Base-Base interactions energy: -33.899
where: short stacking energy: -29.022
Base-Backbone interact. energy: -0.190
local terms energy: -50.991379
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -8.645
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -220.573360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.573360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.573360 (E_RNA)
where:
Base-Base interactions energy: -145.585
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.004
local terms energy: -74.984706
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -209.851752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.851752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.851752 (E_RNA)
where:
Base-Base interactions energy: -140.741
where: short stacking energy: -62.543
Base-Backbone interact. energy: -0.004
local terms energy: -69.107387
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -13.956
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -6.466
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: 2
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -222.654343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.654343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.654343 (E_RNA)
where:
Base-Base interactions energy: -145.663
where: short stacking energy: -62.268
Base-Backbone interact. energy: -0.137
local terms energy: -76.853984
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.574
tors. eta vs tors. theta energy: -18.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -217.252954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.252954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.252954 (E_RNA)
where:
Base-Base interactions energy: -140.874
where: short stacking energy: -66.346
Base-Backbone interact. energy: -0.026
local terms energy: -76.353354
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -7.642
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: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -182.549713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.549713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.549713 (E_RNA)
where:
Base-Base interactions energy: -115.266
where: short stacking energy: -51.915
Base-Backbone interact. energy: -0.040
local terms energy: -67.243932
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -16.004
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -10.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -179.816768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.816768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.816768 (E_RNA)
where:
Base-Base interactions energy: -107.893
where: short stacking energy: -49.786
Base-Backbone interact. energy: -0.084
local terms energy: -71.839587
where:
bonds (distance) C4'-P energy: -15.845
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -9.372
tors. eta vs tors. theta energy: -12.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -100.699905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.699905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.699905 (E_RNA)
where:
Base-Base interactions energy: -43.763
where: short stacking energy: -32.243
Base-Backbone interact. energy: 0.677
local terms energy: -57.613847
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -9.999
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -7.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -132.456296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.456296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.456296 (E_RNA)
where:
Base-Base interactions energy: -71.137
where: short stacking energy: -39.818
Base-Backbone interact. energy: -0.688
local terms energy: -60.631060
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -7.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -84.890153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.890153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.890153 (E_RNA)
where:
Base-Base interactions energy: -36.003
where: short stacking energy: -36.003
Base-Backbone interact. energy: -0.079
local terms energy: -48.808507
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -10.895
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: -4.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -79.066291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.066291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.066291 (E_RNA)
where:
Base-Base interactions energy: -22.421
where: short stacking energy: -16.637
Base-Backbone interact. energy: -0.150
local terms energy: -56.495926
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -7.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -230.578343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.578343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.578343 (E_RNA)
where:
Base-Base interactions energy: -159.185
where: short stacking energy: -71.079
Base-Backbone interact. energy: -0.058
local terms energy: -71.336177
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -19.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -220.583756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.583756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.583756 (E_RNA)
where:
Base-Base interactions energy: -147.249
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.037
local terms energy: -73.298488
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -12.644
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -21.300
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: 4
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -197.090658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.090658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.090658 (E_RNA)
where:
Base-Base interactions energy: -130.316
where: short stacking energy: -60.300
Base-Backbone interact. energy: 0.015
local terms energy: -66.789549
where:
bonds (distance) C4'-P energy: -13.584
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -15.465
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -12.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -187.872070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.872070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.872070 (E_RNA)
where:
Base-Base interactions energy: -119.264
where: short stacking energy: -54.485
Base-Backbone interact. energy: -0.452
local terms energy: -68.156163
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -12.962
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -13.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -205.435843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.435843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.435843 (E_RNA)
where:
Base-Base interactions energy: -136.500
where: short stacking energy: -64.041
Base-Backbone interact. energy: -0.821
local terms energy: -68.114510
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -6.835
tors. eta vs tors. theta energy: -19.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -103.934221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934221 (E_RNA)
where:
Base-Base interactions energy: -37.828
where: short stacking energy: -37.828
Base-Backbone interact. energy: -0.014
local terms energy: -66.092315
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -9.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -175.195276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.195276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.195276 (E_RNA)
where:
Base-Base interactions energy: -112.899
where: short stacking energy: -56.715
Base-Backbone interact. energy: -0.002
local terms energy: -62.293880
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -7.080
tors. eta vs tors. theta energy: -16.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -125.844053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.844053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.844053 (E_RNA)
where:
Base-Base interactions energy: -77.891
where: short stacking energy: -31.923
Base-Backbone interact. energy: -0.234
local terms energy: -47.719298
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -16.473
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -2.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -79.781603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.781603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.781603 (E_RNA)
where:
Base-Base interactions energy: -33.843
where: short stacking energy: -33.843
Base-Backbone interact. energy: -0.017
local terms energy: -45.921594
where:
bonds (distance) C4'-P energy: -6.179
bonds (distance) P-C4' energy: -11.897
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -10.413
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: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -77.108990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.108990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.108990 (E_RNA)
where:
Base-Base interactions energy: -30.153
where: short stacking energy: -30.153
Base-Backbone interact. energy: -0.130
local terms energy: -46.826535
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -10.112
flat angles P-C4'-P energy: -9.014
tors. eta vs tors. theta energy: -2.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -231.031961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.031961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.031961 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -69.426
Base-Backbone interact. energy: -0.715
local terms energy: -77.193844
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -18.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -227.744901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.744901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.744901 (E_RNA)
where:
Base-Base interactions energy: -146.693
where: short stacking energy: -68.787
Base-Backbone interact. energy: -0.679
local terms energy: -80.373621
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -11.224
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: 3, replica: 1
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -201.092247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.092247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.092247 (E_RNA)
where:
Base-Base interactions energy: -125.840
where: short stacking energy: -65.606
Base-Backbone interact. energy: 0.731
local terms energy: -75.983060
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -192.914213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.914213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.914213 (E_RNA)
where:
Base-Base interactions energy: -123.078
where: short stacking energy: -56.303
Base-Backbone interact. energy: -0.207
local terms energy: -69.629211
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -6.689
tors. eta vs tors. theta energy: -17.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -195.170008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.170008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.170008 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -59.708
Base-Backbone interact. energy: -0.014
local terms energy: -67.315048
where:
bonds (distance) C4'-P energy: -7.856
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.484
flat angles P-C4'-P energy: -9.902
tors. eta vs tors. theta energy: -16.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -87.704812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.704812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.704812 (E_RNA)
where:
Base-Base interactions energy: -30.922
where: short stacking energy: -28.101
Base-Backbone interact. energy: 0.162
local terms energy: -56.944885
where:
bonds (distance) C4'-P energy: -11.232
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -9.421
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: 7, replica: 6
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -176.781650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.781650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.781650 (E_RNA)
where:
Base-Base interactions energy: -112.843
where: short stacking energy: -57.672
Base-Backbone interact. energy: 0.023
local terms energy: -63.961954
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -14.895
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -10.444
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: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -100.240844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.240844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.240844 (E_RNA)
where:
Base-Base interactions energy: -43.978
where: short stacking energy: -21.740
Base-Backbone interact. energy: -0.264
local terms energy: -55.998124
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -87.604914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.604914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.604914 (E_RNA)
where:
Base-Base interactions energy: -33.678
where: short stacking energy: -33.678
Base-Backbone interact. energy: -0.098
local terms energy: -53.828981
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -8.271
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -7.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -79.325087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.325087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.325087 (E_RNA)
where:
Base-Base interactions energy: -26.597
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.008
local terms energy: -52.720183
where:
bonds (distance) C4'-P energy: -16.160
bonds (distance) P-C4' energy: -9.670
flat angles C4'-P-C4' energy: -15.983
flat angles P-C4'-P energy: -6.903
tors. eta vs tors. theta energy: -4.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -218.794696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.794696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.794696 (E_RNA)
where:
Base-Base interactions energy: -143.366
where: short stacking energy: -65.098
Base-Backbone interact. energy: -0.134
local terms energy: -75.294713
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -12.392
tors. eta vs tors. theta energy: -17.771
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: 1
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -197.091086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.091086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.091086 (E_RNA)
where:
Base-Base interactions energy: -130.051
where: short stacking energy: -64.146
Base-Backbone interact. energy: -0.266
local terms energy: -66.773626
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -15.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -213.679115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679115 (E_RNA)
where:
Base-Base interactions energy: -139.903
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.581
local terms energy: -73.195231
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -20.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -186.592314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.592314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.592314 (E_RNA)
where:
Base-Base interactions energy: -119.800
where: short stacking energy: -56.073
Base-Backbone interact. energy: -0.016
local terms energy: -66.776156
where:
bonds (distance) C4'-P energy: -14.645
bonds (distance) P-C4' energy: -14.900
flat angles C4'-P-C4' energy: -13.966
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -17.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -197.503702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.503702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.503702 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.015
local terms energy: -69.094542
where:
bonds (distance) C4'-P energy: -13.002
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -16.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -181.483177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.483177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.483177 (E_RNA)
where:
Base-Base interactions energy: -119.440
where: short stacking energy: -48.441
Base-Backbone interact. energy: -0.033
local terms energy: -62.010778
where:
bonds (distance) C4'-P energy: -12.987
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -10.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -108.252148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.252148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.252148 (E_RNA)
where:
Base-Base interactions energy: -51.363
where: short stacking energy: -31.516
Base-Backbone interact. energy: -0.057
local terms energy: -56.832248
where:
bonds (distance) C4'-P energy: -14.753
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -8.424
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -9.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -83.856218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.856218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.856218 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -29.709
Base-Backbone interact. energy: 0.401
local terms energy: -53.193440
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -16.935
flat angles C4'-P-C4' energy: -10.142
flat angles P-C4'-P energy: -6.453
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: 5
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -82.932285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.932285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.932285 (E_RNA)
where:
Base-Base interactions energy: -33.992
where: short stacking energy: -26.616
Base-Backbone interact. energy: -0.099
local terms energy: -48.841042
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -9.337
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -6.624
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -81.160072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.160072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.160072 (E_RNA)
where:
Base-Base interactions energy: -33.508
where: short stacking energy: -32.283
Base-Backbone interact. energy: -0.071
local terms energy: -47.581885
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -8.699
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -7.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -212.014474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.014474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.014474 (E_RNA)
where:
Base-Base interactions energy: -134.863
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.003
local terms energy: -77.148595
where:
bonds (distance) C4'-P energy: -14.484
bonds (distance) P-C4' energy: -14.542
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -13.559
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: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -226.757483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.757483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.757483 (E_RNA)
where:
Base-Base interactions energy: -143.557
where: short stacking energy: -69.921
Base-Backbone interact. energy: -0.106
local terms energy: -83.094534
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -23.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -194.307473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.307473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.307473 (E_RNA)
where:
Base-Base interactions energy: -126.861
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.198
local terms energy: -67.248487
where:
bonds (distance) C4'-P energy: -17.001
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.594
flat angles P-C4'-P energy: -7.037
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: 4, replica: 10
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -211.612413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.612413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.612413 (E_RNA)
where:
Base-Base interactions energy: -141.317
where: short stacking energy: -71.253
Base-Backbone interact. energy: -0.294
local terms energy: -70.001764
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -10.284
flat angles P-C4'-P energy: -12.833
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: 5, replica: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -213.202826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.202826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.202826 (E_RNA)
where:
Base-Base interactions energy: -138.369
where: short stacking energy: -63.387
Base-Backbone interact. energy: -0.115
local terms energy: -74.719288
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -8.582
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: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -168.065057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.065057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.065057 (E_RNA)
where:
Base-Base interactions energy: -103.686
where: short stacking energy: -53.313
Base-Backbone interact. energy: -0.502
local terms energy: -63.876664
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -14.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -83.321820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321820 (E_RNA)
where:
Base-Base interactions energy: -43.625
where: short stacking energy: -20.427
Base-Backbone interact. energy: 5.436
local terms energy: -45.132967
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: 2.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -84.246406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.246406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.246406 (E_RNA)
where:
Base-Base interactions energy: -30.830
where: short stacking energy: -29.829
Base-Backbone interact. energy: -0.087
local terms energy: -53.329355
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -3.759
tors. eta vs tors. theta energy: -5.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -80.251047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.251047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.251047 (E_RNA)
where:
Base-Base interactions energy: -34.246
where: short stacking energy: -17.658
Base-Backbone interact. energy: -0.076
local terms energy: -45.928966
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -5.182
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: 10, replica: 5
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -78.994220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.994220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.994220 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -23.574
Base-Backbone interact. energy: -0.109
local terms energy: -37.110736
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -8.473
flat angles C4'-P-C4' energy: -11.651
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -1.740
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: 1, replica: 1
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -208.100419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.100419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.100419 (E_RNA)
where:
Base-Base interactions energy: -126.641
where: short stacking energy: -66.264
Base-Backbone interact. energy: 0.718
local terms energy: -82.177425
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -20.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -224.487704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.487704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.487704 (E_RNA)
where:
Base-Base interactions energy: -149.657
where: short stacking energy: -67.068
Base-Backbone interact. energy: -0.007
local terms energy: -74.823329
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -13.088
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -20.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -198.849245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.849245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.849245 (E_RNA)
where:
Base-Base interactions energy: -129.103
where: short stacking energy: -60.791
Base-Backbone interact. energy: -0.372
local terms energy: -69.374474
where:
bonds (distance) C4'-P energy: -14.106
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -17.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -209.312306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.312306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.312306 (E_RNA)
where:
Base-Base interactions energy: -133.768
where: short stacking energy: -58.445
Base-Backbone interact. energy: -0.311
local terms energy: -75.233649
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.510
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: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -204.082499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.082499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.082499 (E_RNA)
where:
Base-Base interactions energy: -129.723
where: short stacking energy: -57.428
Base-Backbone interact. energy: -0.002
local terms energy: -74.357145
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -15.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -184.063348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.063348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.063348 (E_RNA)
where:
Base-Base interactions energy: -113.079
where: short stacking energy: -55.956
Base-Backbone interact. energy: 0.033
local terms energy: -71.017660
where:
bonds (distance) C4'-P energy: -15.643
bonds (distance) P-C4' energy: -12.193
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -14.330
tors. eta vs tors. theta energy: -17.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -106.222168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.222168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.222168 (E_RNA)
where:
Base-Base interactions energy: -64.181
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.163
local terms energy: -41.877703
where:
bonds (distance) C4'-P energy: -10.054
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -10.820
flat angles P-C4'-P energy: -6.321
tors. eta vs tors. theta energy: -0.133
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: 9
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -94.083415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.083415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.083415 (E_RNA)
where:
Base-Base interactions energy: -38.120
where: short stacking energy: -38.120
Base-Backbone interact. energy: -1.312
local terms energy: -54.651632
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -6.500
flat angles C4'-P-C4' energy: -14.485
flat angles P-C4'-P energy: -7.010
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: 9, replica: 3
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -85.891942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.891942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.891942 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -32.588
Base-Backbone interact. energy: -0.025
local terms energy: -53.279026
where:
bonds (distance) C4'-P energy: -14.707
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -5.243
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: 5
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -87.745384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745384 (E_RNA)
where:
Base-Base interactions energy: -38.277
where: short stacking energy: -21.683
Base-Backbone interact. energy: 0.935
local terms energy: -50.402468
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -8.365
tors. eta vs tors. theta energy: -3.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -233.300503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.300503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.300503 (E_RNA)
where:
Base-Base interactions energy: -152.799
where: short stacking energy: -79.933
Base-Backbone interact. energy: -0.123
local terms energy: -80.378325
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -18.561
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -207.632276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.632276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.632276 (E_RNA)
where:
Base-Base interactions energy: -136.549
where: short stacking energy: -60.877
Base-Backbone interact. energy: -0.954
local terms energy: -70.128575
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -12.746
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -15.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -207.075380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.075380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.075380 (E_RNA)
where:
Base-Base interactions energy: -133.265
where: short stacking energy: -60.313
Base-Backbone interact. energy: -1.294
local terms energy: -72.515782
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -18.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -185.623141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.623141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.623141 (E_RNA)
where:
Base-Base interactions energy: -126.665
where: short stacking energy: -50.201
Base-Backbone interact. energy: 0.750
local terms energy: -59.708304
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -185.286787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.286787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.286787 (E_RNA)
where:
Base-Base interactions energy: -119.119
where: short stacking energy: -54.863
Base-Backbone interact. energy: -0.279
local terms energy: -65.888646
where:
bonds (distance) C4'-P energy: -15.734
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -13.766
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -14.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -182.957831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.957831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.957831 (E_RNA)
where:
Base-Base interactions energy: -122.238
where: short stacking energy: -53.473
Base-Backbone interact. energy: -0.683
local terms energy: -60.037108
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -9.183
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -6.099
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: 7, replica: 9
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -88.888904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.888904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.888904 (E_RNA)
where:
Base-Base interactions energy: -39.137
where: short stacking energy: -39.137
Base-Backbone interact. energy: 0.154
local terms energy: -49.906093
where:
bonds (distance) C4'-P energy: -9.569
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -5.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -119.061041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.061041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.061041 (E_RNA)
where:
Base-Base interactions energy: -66.070
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.248
local terms energy: -52.742942
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -1.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -75.914345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.914345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.914345 (E_RNA)
where:
Base-Base interactions energy: -35.261
where: short stacking energy: -17.097
Base-Backbone interact. energy: -0.277
local terms energy: -40.376153
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -2.316
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: 4.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -85.001620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.001620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.001620 (E_RNA)
where:
Base-Base interactions energy: -31.313
where: short stacking energy: -28.924
Base-Backbone interact. energy: -0.136
local terms energy: -53.552378
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -13.173
flat angles P-C4'-P energy: -3.516
tors. eta vs tors. theta energy: -8.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -230.026949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.026949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.026949 (E_RNA)
where:
Base-Base interactions energy: -145.702
where: short stacking energy: -67.284
Base-Backbone interact. energy: -0.575
local terms energy: -83.749993
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -14.129
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: 7
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -219.166338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.166338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.166338 (E_RNA)
where:
Base-Base interactions energy: -144.307
where: short stacking energy: -68.522
Base-Backbone interact. energy: -0.023
local terms energy: -74.836872
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -19.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -191.579653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.579653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.579653 (E_RNA)
where:
Base-Base interactions energy: -120.949
where: short stacking energy: -60.175
Base-Backbone interact. energy: -0.154
local terms energy: -70.476985
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -9.128
tors. eta vs tors. theta energy: -12.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -186.083511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.083511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.083511 (E_RNA)
where:
Base-Base interactions energy: -120.091
where: short stacking energy: -53.511
Base-Backbone interact. energy: -0.087
local terms energy: -65.905279
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -13.559
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -11.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -190.874584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.874584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.874584 (E_RNA)
where:
Base-Base interactions energy: -124.184
where: short stacking energy: -51.444
Base-Backbone interact. energy: -0.011
local terms energy: -66.679861
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -14.547
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -12.715
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -181.868994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.868994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.868994 (E_RNA)
where:
Base-Base interactions energy: -115.742
where: short stacking energy: -53.575
Base-Backbone interact. energy: -0.250
local terms energy: -65.877071
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.258
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -11.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -99.891923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.891923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.891923 (E_RNA)
where:
Base-Base interactions energy: -37.903
where: short stacking energy: -37.903
Base-Backbone interact. energy: 0.191
local terms energy: -62.179794
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -5.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -86.803568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.803568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.803568 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.852
local terms energy: -49.793020
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -15.635
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: 6.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -90.690514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.690514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.690514 (E_RNA)
where:
Base-Base interactions energy: -40.905
where: short stacking energy: -21.129
Base-Backbone interact. energy: 0.080
local terms energy: -49.865725
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -6.434
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: 10, replica: 3
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -79.481512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.481512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.481512 (E_RNA)
where:
Base-Base interactions energy: -35.955
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.205
local terms energy: -43.321494
where:
bonds (distance) C4'-P energy: -4.584
bonds (distance) P-C4' energy: -10.531
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -11.082
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: 1, replica: 2
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -231.201944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.201944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.201944 (E_RNA)
where:
Base-Base interactions energy: -151.213
where: short stacking energy: -76.941
Base-Backbone interact. energy: -0.585
local terms energy: -79.403914
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -16.911
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -223.756529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.756529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.756529 (E_RNA)
where:
Base-Base interactions energy: -152.775
where: short stacking energy: -70.346
Base-Backbone interact. energy: -0.019
local terms energy: -70.962634
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -12.774
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -20.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -187.780711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.780711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.780711 (E_RNA)
where:
Base-Base interactions energy: -121.195
where: short stacking energy: -58.473
Base-Backbone interact. energy: -0.050
local terms energy: -66.535420
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -16.409
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -10.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -184.687839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.687839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.687839 (E_RNA)
where:
Base-Base interactions energy: -112.368
where: short stacking energy: -61.270
Base-Backbone interact. energy: -0.028
local terms energy: -72.291293
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -15.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -190.525204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.525204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.525204 (E_RNA)
where:
Base-Base interactions energy: -121.234
where: short stacking energy: -63.830
Base-Backbone interact. energy: 0.802
local terms energy: -70.094043
where:
bonds (distance) C4'-P energy: -11.013
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -18.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -190.245069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.245069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.245069 (E_RNA)
where:
Base-Base interactions energy: -132.965
where: short stacking energy: -66.362
Base-Backbone interact. energy: -0.015
local terms energy: -57.264302
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -10.179
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -95.820599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.820599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.820599 (E_RNA)
where:
Base-Base interactions energy: -38.248
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.295
local terms energy: -57.277043
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.589
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -9.176
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: 8, replica: 9
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -83.786876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.786876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.786876 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -29.331
Base-Backbone interact. energy: -0.207
local terms energy: -39.481170
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: 0.001
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: 3
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -89.140091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.140091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.140091 (E_RNA)
where:
Base-Base interactions energy: -40.793
where: short stacking energy: -30.168
Base-Backbone interact. energy: -0.217
local terms energy: -48.130776
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -6.428
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: 10, replica: 8
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -86.791547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.791547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.791547 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -32.674
Base-Backbone interact. energy: -0.022
local terms energy: -49.405596
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -12.394
flat angles C4'-P-C4' energy: -10.360
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -228.425384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.425384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.425384 (E_RNA)
where:
Base-Base interactions energy: -151.622
where: short stacking energy: -71.352
Base-Backbone interact. energy: 0.618
local terms energy: -77.421048
where:
bonds (distance) C4'-P energy: -17.452
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -16.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -233.761032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.761032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.761032 (E_RNA)
where:
Base-Base interactions energy: -155.393
where: short stacking energy: -78.450
Base-Backbone interact. energy: -0.313
local terms energy: -78.054782
where:
bonds (distance) C4'-P energy: -15.056
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -190.706663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.706663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.706663 (E_RNA)
where:
Base-Base interactions energy: -127.013
where: short stacking energy: -59.895
Base-Backbone interact. energy: 0.611
local terms energy: -64.304096
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -10.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -200.548216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.548216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.548216 (E_RNA)
where:
Base-Base interactions energy: -130.351
where: short stacking energy: -50.585
Base-Backbone interact. energy: -0.832
local terms energy: -69.365958
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -12.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -187.125383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.125383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.125383 (E_RNA)
where:
Base-Base interactions energy: -124.349
where: short stacking energy: -56.695
Base-Backbone interact. energy: -0.073
local terms energy: -62.704266
where:
bonds (distance) C4'-P energy: -12.115
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -7.919
tors. eta vs tors. theta energy: -10.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -218.664277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.664277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.664277 (E_RNA)
where:
Base-Base interactions energy: -145.741
where: short stacking energy: -72.771
Base-Backbone interact. energy: -0.013
local terms energy: -72.910501
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -10.269
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: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -97.605992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.605992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.605992 (E_RNA)
where:
Base-Base interactions energy: -42.761
where: short stacking energy: -27.995
Base-Backbone interact. energy: -1.402
local terms energy: -53.442356
where:
bonds (distance) C4'-P energy: -13.767
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -12.322
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -85.278430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.278430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.278430 (E_RNA)
where:
Base-Base interactions energy: -30.441
where: short stacking energy: -28.866
Base-Backbone interact. energy: -0.017
local terms energy: -54.819805
where:
bonds (distance) C4'-P energy: -16.773
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -11.456
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -2.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -76.843475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.843475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.843475 (E_RNA)
where:
Base-Base interactions energy: -28.460
where: short stacking energy: -28.345
Base-Backbone interact. energy: -0.124
local terms energy: -48.259646
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -14.220
flat angles C4'-P-C4' energy: -10.640
flat angles P-C4'-P energy: -11.315
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: 10, replica: 8
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -76.687517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.687517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.687517 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -24.074
Base-Backbone interact. energy: -0.393
local terms energy: -48.831531
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -14.707
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -6.956
tors. eta vs tors. theta energy: 0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -232.712398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.712398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.712398 (E_RNA)
where:
Base-Base interactions energy: -154.195
where: short stacking energy: -79.141
Base-Backbone interact. energy: 2.745
local terms energy: -81.262521
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -225.945488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.945488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.945488 (E_RNA)
where:
Base-Base interactions energy: -147.489
where: short stacking energy: -70.521
Base-Backbone interact. energy: -0.002
local terms energy: -78.454041
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -19.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -198.016073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.016073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.016073 (E_RNA)
where:
Base-Base interactions energy: -122.171
where: short stacking energy: -61.555
Base-Backbone interact. energy: -0.116
local terms energy: -75.728795
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -18.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -197.922500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.922500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.922500 (E_RNA)
where:
Base-Base interactions energy: -128.714
where: short stacking energy: -49.856
Base-Backbone interact. energy: -1.089
local terms energy: -68.119586
where:
bonds (distance) C4'-P energy: -15.742
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -6.673
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: 5, replica: 10
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -224.200524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.200524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.200524 (E_RNA)
where:
Base-Base interactions energy: -146.005
where: short stacking energy: -69.713
Base-Backbone interact. energy: -0.813
local terms energy: -77.382948
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -9.798
flat angles P-C4'-P energy: -12.274
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -182.296341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.296341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.296341 (E_RNA)
where:
Base-Base interactions energy: -122.095
where: short stacking energy: -45.411
Base-Backbone interact. energy: -0.632
local terms energy: -59.569535
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -106.911733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.911733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.911733 (E_RNA)
where:
Base-Base interactions energy: -46.944
where: short stacking energy: -46.944
Base-Backbone interact. energy: -0.033
local terms energy: -59.934926
where:
bonds (distance) C4'-P energy: -11.180
bonds (distance) P-C4' energy: -13.117
flat angles C4'-P-C4' energy: -12.747
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -11.709
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: 5
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -98.203403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.203403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.203403 (E_RNA)
where:
Base-Base interactions energy: -52.597
where: short stacking energy: -29.513
Base-Backbone interact. energy: -0.442
local terms energy: -45.163863
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -12.930
flat angles P-C4'-P energy: -10.141
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -98.661402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.661402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.661402 (E_RNA)
where:
Base-Base interactions energy: -42.941
where: short stacking energy: -29.525
Base-Backbone interact. energy: -0.105
local terms energy: -55.615496
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -76.460930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.460930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.460930 (E_RNA)
where:
Base-Base interactions energy: -29.715
where: short stacking energy: -24.674
Base-Backbone interact. energy: 0.004
local terms energy: -46.750204
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -11.156
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -2.868
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: 1, replica: 7
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -228.905984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.905984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.905984 (E_RNA)
where:
Base-Base interactions energy: -153.941
where: short stacking energy: -73.091
Base-Backbone interact. energy: -0.057
local terms energy: -74.908360
where:
bonds (distance) C4'-P energy: -12.752
bonds (distance) P-C4' energy: -14.364
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -10.770
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: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -228.877423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.877423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.877423 (E_RNA)
where:
Base-Base interactions energy: -144.156
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.000
local terms energy: -84.721278
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -24.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -192.909896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.909896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.909896 (E_RNA)
where:
Base-Base interactions energy: -131.184
where: short stacking energy: -61.471
Base-Backbone interact. energy: -0.084
local terms energy: -61.641473
where:
bonds (distance) C4'-P energy: -13.714
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -8.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -210.856154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.856154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.856154 (E_RNA)
where:
Base-Base interactions energy: -136.568
where: short stacking energy: -69.964
Base-Backbone interact. energy: -0.030
local terms energy: -74.258296
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -16.258
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -8.955
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -183.271448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.271448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.271448 (E_RNA)
where:
Base-Base interactions energy: -121.076
where: short stacking energy: -52.613
Base-Backbone interact. energy: 0.375
local terms energy: -62.570418
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -7.019
tors. eta vs tors. theta energy: -14.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -181.605510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.605510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.605510 (E_RNA)
where:
Base-Base interactions energy: -117.144
where: short stacking energy: -51.302
Base-Backbone interact. energy: -0.115
local terms energy: -64.346681
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -11.072
tors. eta vs tors. theta energy: -9.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -97.423755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.423755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.423755 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -38.119
Base-Backbone interact. energy: -0.285
local terms energy: -54.120756
where:
bonds (distance) C4'-P energy: -8.215
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -96.831330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.831330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.831330 (E_RNA)
where:
Base-Base interactions energy: -40.297
where: short stacking energy: -35.206
Base-Backbone interact. energy: -0.365
local terms energy: -56.169140
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -11.827
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -7.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -91.133008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.133008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.133008 (E_RNA)
where:
Base-Base interactions energy: -47.817
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.124
local terms energy: -43.192166
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -7.817
flat angles C4'-P-C4' energy: -12.104
flat angles P-C4'-P energy: -1.683
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: 10, replica: 9
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -73.813198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.813198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.813198 (E_RNA)
where:
Base-Base interactions energy: -27.675
where: short stacking energy: -27.675
Base-Backbone interact. energy: -0.055
local terms energy: -46.082914
where:
bonds (distance) C4'-P energy: -12.231
bonds (distance) P-C4' energy: -9.706
flat angles C4'-P-C4' energy: -9.072
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -4.175
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -222.866551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866551 (E_RNA)
where:
Base-Base interactions energy: -146.840
where: short stacking energy: -64.443
Base-Backbone interact. energy: -0.003
local terms energy: -76.023538
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -12.027
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -21.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -228.980783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.980783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.980783 (E_RNA)
where:
Base-Base interactions energy: -149.411
where: short stacking energy: -75.390
Base-Backbone interact. energy: -0.001
local terms energy: -79.568327
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -19.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -193.203265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.203265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.203265 (E_RNA)
where:
Base-Base interactions energy: -119.114
where: short stacking energy: -59.700
Base-Backbone interact. energy: -0.015
local terms energy: -74.074491
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -18.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -203.972242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.972242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.972242 (E_RNA)
where:
Base-Base interactions energy: -135.473
where: short stacking energy: -70.102
Base-Backbone interact. energy: -0.449
local terms energy: -68.050207
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -4.039
tors. eta vs tors. theta energy: -17.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -176.999267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.999267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.999267 (E_RNA)
where:
Base-Base interactions energy: -119.430
where: short stacking energy: -58.272
Base-Backbone interact. energy: -0.139
local terms energy: -57.429762
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -16.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -179.973130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.973130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.973130 (E_RNA)
where:
Base-Base interactions energy: -112.416
where: short stacking energy: -51.927
Base-Backbone interact. energy: -0.086
local terms energy: -67.471267
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -12.721
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -10.694
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: 7, replica: 8
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -94.014908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.014908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.014908 (E_RNA)
where:
Base-Base interactions energy: -37.972
where: short stacking energy: -37.176
Base-Backbone interact. energy: -0.274
local terms energy: -55.768567
where:
bonds (distance) C4'-P energy: -8.236
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -12.974
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -6.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -82.537377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.537377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.537377 (E_RNA)
where:
Base-Base interactions energy: -33.344
where: short stacking energy: -28.229
Base-Backbone interact. energy: 0.359
local terms energy: -49.551878
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -11.001
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -83.670705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670705 (E_RNA)
where:
Base-Base interactions energy: -35.849
where: short stacking energy: -34.931
Base-Backbone interact. energy: 0.570
local terms energy: -48.392131
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -5.469
tors. eta vs tors. theta energy: -5.805
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: 10, replica: 5
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -78.513665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.513665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.513665 (E_RNA)
where:
Base-Base interactions energy: -27.980
where: short stacking energy: -22.409
Base-Backbone interact. energy: 0.648
local terms energy: -51.180763
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -12.642
flat angles C4'-P-C4' energy: -13.709
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -5.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -230.498434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.498434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.498434 (E_RNA)
where:
Base-Base interactions energy: -153.747
where: short stacking energy: -73.781
Base-Backbone interact. energy: -0.501
local terms energy: -76.250522
where:
bonds (distance) C4'-P energy: -15.604
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -19.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -224.781690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.781690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.781690 (E_RNA)
where:
Base-Base interactions energy: -151.981
where: short stacking energy: -69.762
Base-Backbone interact. energy: -0.058
local terms energy: -72.742468
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -16.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -191.569135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.569135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.569135 (E_RNA)
where:
Base-Base interactions energy: -118.976
where: short stacking energy: -56.201
Base-Backbone interact. energy: -0.937
local terms energy: -71.656273
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -8.542
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: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -226.383753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.383753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.383753 (E_RNA)
where:
Base-Base interactions energy: -147.301
where: short stacking energy: -76.148
Base-Backbone interact. energy: -0.000
local terms energy: -79.082800
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -13.430
tors. eta vs tors. theta energy: -21.186
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: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -189.579884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.579884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.579884 (E_RNA)
where:
Base-Base interactions energy: -119.059
where: short stacking energy: -63.685
Base-Backbone interact. energy: 0.717
local terms energy: -71.238161
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -13.239
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -188.565615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.565615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.565615 (E_RNA)
where:
Base-Base interactions energy: -132.484
where: short stacking energy: -50.739
Base-Backbone interact. energy: 2.480
local terms energy: -58.562184
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -15.386
flat angles P-C4'-P energy: -7.526
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: 7, replica: 8
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -90.421302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.421302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.421302 (E_RNA)
where:
Base-Base interactions energy: -37.517
where: short stacking energy: -36.737
Base-Backbone interact. energy: -0.040
local terms energy: -52.864295
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -5.430
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: 3
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.355183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.355183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.355183 (E_RNA)
where:
Base-Base interactions energy: -40.519
where: short stacking energy: -34.647
Base-Backbone interact. energy: -0.013
local terms energy: -46.823751
where:
bonds (distance) C4'-P energy: -13.177
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -8.404
flat angles P-C4'-P energy: -4.649
tors. eta vs tors. theta energy: -6.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -82.754928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.754928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.754928 (E_RNA)
where:
Base-Base interactions energy: -36.521
where: short stacking energy: -36.456
Base-Backbone interact. energy: -0.151
local terms energy: -46.083013
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -9.173
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -75.456704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.456704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.456704 (E_RNA)
where:
Base-Base interactions energy: -20.810
where: short stacking energy: -20.810
Base-Backbone interact. energy: -0.084
local terms energy: -54.563213
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -16.848
flat angles C4'-P-C4' energy: -10.031
flat angles P-C4'-P energy: -7.799
tors. eta vs tors. theta energy: -3.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -231.847473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.847473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.847473 (E_RNA)
where:
Base-Base interactions energy: -155.435
where: short stacking energy: -74.049
Base-Backbone interact. energy: -0.010
local terms energy: -76.402318
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -19.917
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: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -231.372568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.372568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.372568 (E_RNA)
where:
Base-Base interactions energy: -148.060
where: short stacking energy: -68.113
Base-Backbone interact. energy: -0.001
local terms energy: -83.311709
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -21.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -221.991943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.991943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.991943 (E_RNA)
where:
Base-Base interactions energy: -149.038
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.004
local terms energy: -72.949775
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -180.452809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.452809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.452809 (E_RNA)
where:
Base-Base interactions energy: -116.738
where: short stacking energy: -63.308
Base-Backbone interact. energy: -0.154
local terms energy: -63.560301
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -5.275
tors. eta vs tors. theta energy: -12.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -189.706497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.706497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.706497 (E_RNA)
where:
Base-Base interactions energy: -120.441
where: short stacking energy: -58.408
Base-Backbone interact. energy: -0.001
local terms energy: -69.264000
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -11.925
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -17.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -177.191155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.191155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.191155 (E_RNA)
where:
Base-Base interactions energy: -112.744
where: short stacking energy: -56.862
Base-Backbone interact. energy: -0.061
local terms energy: -64.386401
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -12.949
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: -13.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -101.825739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.825739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.825739 (E_RNA)
where:
Base-Base interactions energy: -54.032
where: short stacking energy: -36.246
Base-Backbone interact. energy: 0.691
local terms energy: -48.483850
where:
bonds (distance) C4'-P energy: -9.038
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -1.204
tors. eta vs tors. theta energy: -7.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -137.174461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.174461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.174461 (E_RNA)
where:
Base-Base interactions energy: -82.483
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.096
local terms energy: -54.595525
where:
bonds (distance) C4'-P energy: -7.633
bonds (distance) P-C4' energy: -11.895
flat angles C4'-P-C4' energy: -12.181
flat angles P-C4'-P energy: -12.710
tors. eta vs tors. theta energy: -10.177
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: 322
Temperature: 1.300000
Total energy: -74.018483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.018483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.018483 (E_RNA)
where:
Base-Base interactions energy: -33.399
where: short stacking energy: -33.699
Base-Backbone interact. energy: -0.041
local terms energy: -40.578497
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -10.822
flat angles P-C4'-P energy: -5.554
tors. eta vs tors. theta energy: -0.954
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: 322
Temperature: 1.350000
Total energy: -79.842171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.842171 (E_RNA)
where:
Base-Base interactions energy: -34.916
where: short stacking energy: -34.916
Base-Backbone interact. energy: -0.095
local terms energy: -44.831728
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -3.889
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -235.547030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.547030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.547030 (E_RNA)
where:
Base-Base interactions energy: -159.291
where: short stacking energy: -79.142
Base-Backbone interact. energy: 2.197
local terms energy: -78.452820
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: -20.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -221.796112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.796112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.796112 (E_RNA)
where:
Base-Base interactions energy: -147.470
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.292
local terms energy: -74.034014
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -12.921
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: 3, replica: 10
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -221.264146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.264146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.264146 (E_RNA)
where:
Base-Base interactions energy: -142.292
where: short stacking energy: -69.588
Base-Backbone interact. energy: -0.001
local terms energy: -78.970886
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -21.435
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: 1
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -185.862670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.862670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.862670 (E_RNA)
where:
Base-Base interactions energy: -126.844
where: short stacking energy: -58.646
Base-Backbone interact. energy: -0.102
local terms energy: -58.916657
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -9.158
flat angles C4'-P-C4' energy: -14.329
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -12.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -187.568688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.568688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.568688 (E_RNA)
where:
Base-Base interactions energy: -117.589
where: short stacking energy: -57.633
Base-Backbone interact. energy: -0.342
local terms energy: -69.637599
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -16.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -181.072827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.072827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.072827 (E_RNA)
where:
Base-Base interactions energy: -120.533
where: short stacking energy: -46.349
Base-Backbone interact. energy: -0.418
local terms energy: -60.122037
where:
bonds (distance) C4'-P energy: -14.700
bonds (distance) P-C4' energy: -13.618
flat angles C4'-P-C4' energy: -12.960
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -9.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -126.931148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.931148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.931148 (E_RNA)
where:
Base-Base interactions energy: -67.365
where: short stacking energy: -44.792
Base-Backbone interact. energy: -0.124
local terms energy: -59.441705
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.902
tors. eta vs tors. theta energy: -7.062
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: 8
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -130.141652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.141652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.141652 (E_RNA)
where:
Base-Base interactions energy: -78.838
where: short stacking energy: -46.149
Base-Backbone interact. energy: -0.360
local terms energy: -50.943159
where:
bonds (distance) C4'-P energy: -8.945
bonds (distance) P-C4' energy: -8.442
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.743
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: 5
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -83.135868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.135868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.135868 (E_RNA)
where:
Base-Base interactions energy: -34.845
where: short stacking energy: -33.606
Base-Backbone interact. energy: -0.382
local terms energy: -47.908474
where:
bonds (distance) C4'-P energy: -7.756
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -6.959
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: 10, replica: 9
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -78.970586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.970586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.970586 (E_RNA)
where:
Base-Base interactions energy: -31.338
where: short stacking energy: -31.338
Base-Backbone interact. energy: 1.574
local terms energy: -49.207223
where:
bonds (distance) C4'-P energy: -14.621
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: 1.367
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: 1, replica: 2
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -223.578806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.578806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.578806 (E_RNA)
where:
Base-Base interactions energy: -143.220
where: short stacking energy: -78.150
Base-Backbone interact. energy: -0.413
local terms energy: -79.945067
where:
bonds (distance) C4'-P energy: -11.193
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -13.763
tors. eta vs tors. theta energy: -22.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -225.434323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.434323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.434323 (E_RNA)
where:
Base-Base interactions energy: -147.457
where: short stacking energy: -72.181
Base-Backbone interact. energy: -0.015
local terms energy: -77.962229
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.482
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -11.184
tors. eta vs tors. theta energy: -21.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -209.477407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.477407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.477407 (E_RNA)
where:
Base-Base interactions energy: -136.083
where: short stacking energy: -64.489
Base-Backbone interact. energy: -0.451
local terms energy: -72.943879
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -17.147
flat angles P-C4'-P energy: -8.198
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -190.633704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.633704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.633704 (E_RNA)
where:
Base-Base interactions energy: -125.498
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.259
local terms energy: -64.877157
where:
bonds (distance) C4'-P energy: -15.506
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -11.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -178.697813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.697813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.697813 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -58.442
Base-Backbone interact. energy: -0.039
local terms energy: -60.466698
where:
bonds (distance) C4'-P energy: -8.775
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -10.309
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -16.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -184.521172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.521172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.521172 (E_RNA)
where:
Base-Base interactions energy: -119.992
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.565
local terms energy: -63.963793
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -14.230
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -9.113
tors. eta vs tors. theta energy: -12.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -137.813558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.813558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.813558 (E_RNA)
where:
Base-Base interactions energy: -79.547
where: short stacking energy: -37.223
Base-Backbone interact. energy: 0.234
local terms energy: -58.500542
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -12.415
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -7.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -98.273481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.273481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.273481 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -36.391
Base-Backbone interact. energy: -1.185
local terms energy: -53.703108
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -9.402
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -88.180328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.180328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.180328 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -34.627
Base-Backbone interact. energy: -0.111
local terms energy: -53.419843
where:
bonds (distance) C4'-P energy: -12.331
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -11.114
flat angles P-C4'-P energy: -11.116
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: 10, replica: 5
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -78.786421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.786421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.786421 (E_RNA)
where:
Base-Base interactions energy: -43.092
where: short stacking energy: -29.024
Base-Backbone interact. energy: 1.431
local terms energy: -37.124571
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -8.629
flat angles C4'-P-C4' energy: -9.549
flat angles P-C4'-P energy: -5.378
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: 2
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -220.994935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.994935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.994935 (E_RNA)
where:
Base-Base interactions energy: -145.686
where: short stacking energy: -75.474
Base-Backbone interact. energy: -0.001
local terms energy: -75.308760
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -216.682037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.682037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.682037 (E_RNA)
where:
Base-Base interactions energy: -143.928
where: short stacking energy: -67.636
Base-Backbone interact. energy: -0.296
local terms energy: -72.458816
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.184
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: 3, replica: 7
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -229.375895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.375895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.375895 (E_RNA)
where:
Base-Base interactions energy: -150.388
where: short stacking energy: -73.963
Base-Backbone interact. energy: -0.004
local terms energy: -78.983055
where:
bonds (distance) C4'-P energy: -16.110
bonds (distance) P-C4' energy: -12.369
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -13.407
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: 4, replica: 6
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -183.506439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.506439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.506439 (E_RNA)
where:
Base-Base interactions energy: -113.936
where: short stacking energy: -57.294
Base-Backbone interact. energy: -0.077
local terms energy: -69.492808
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -17.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -192.111475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.111475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.111475 (E_RNA)
where:
Base-Base interactions energy: -121.277
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.052
local terms energy: -70.782350
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -10.825
tors. eta vs tors. theta energy: -12.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -142.078088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.078088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.078088 (E_RNA)
where:
Base-Base interactions energy: -83.030
where: short stacking energy: -38.588
Base-Backbone interact. energy: -0.351
local terms energy: -58.697240
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -8.810
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -182.012017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.012017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.012017 (E_RNA)
where:
Base-Base interactions energy: -122.154
where: short stacking energy: -51.476
Base-Backbone interact. energy: -0.447
local terms energy: -59.410543
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -8.322
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: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -88.816416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.816416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.816416 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -36.380
Base-Backbone interact. energy: -0.066
local terms energy: -51.287457
where:
bonds (distance) C4'-P energy: -12.820
bonds (distance) P-C4' energy: -11.803
flat angles C4'-P-C4' energy: -13.298
flat angles P-C4'-P energy: -5.218
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: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -87.204641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.204641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.204641 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -26.759
Base-Backbone interact. energy: -0.668
local terms energy: -45.536185
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -12.120
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -77.472209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.472209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.472209 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -23.734
Base-Backbone interact. energy: -0.080
local terms energy: -43.810491
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -8.156
flat angles P-C4'-P energy: -9.034
tors. eta vs tors. theta energy: -0.199
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: 10
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -226.612230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.612230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.612230 (E_RNA)
where:
Base-Base interactions energy: -152.774
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.805
local terms energy: -73.032453
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -16.103
flat angles P-C4'-P energy: -7.956
tors. eta vs tors. theta energy: -17.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -210.376436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.376436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.376436 (E_RNA)
where:
Base-Base interactions energy: -137.429
where: short stacking energy: -74.145
Base-Backbone interact. energy: 0.279
local terms energy: -73.226700
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -13.448
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -18.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -215.228989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.228989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.228989 (E_RNA)
where:
Base-Base interactions energy: -137.460
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.274
local terms energy: -77.494763
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -21.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -195.133879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.133879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.133879 (E_RNA)
where:
Base-Base interactions energy: -122.800
where: short stacking energy: -67.027
Base-Backbone interact. energy: -0.244
local terms energy: -72.090311
where:
bonds (distance) C4'-P energy: -7.986
bonds (distance) P-C4' energy: -16.030
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -141.550507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.550507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.550507 (E_RNA)
where:
Base-Base interactions energy: -90.904
where: short stacking energy: -44.954
Base-Backbone interact. energy: 0.940
local terms energy: -51.585817
where:
bonds (distance) C4'-P energy: -13.469
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -4.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -193.314784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.314784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.314784 (E_RNA)
where:
Base-Base interactions energy: -125.450
where: short stacking energy: -57.975
Base-Backbone interact. energy: -0.589
local terms energy: -67.275636
where:
bonds (distance) C4'-P energy: -13.660
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -14.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -161.148467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.148467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.148467 (E_RNA)
where:
Base-Base interactions energy: -101.939
where: short stacking energy: -44.891
Base-Backbone interact. energy: -0.877
local terms energy: -58.333364
where:
bonds (distance) C4'-P energy: -12.985
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -10.083
flat angles P-C4'-P energy: -8.935
tors. eta vs tors. theta energy: -12.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -98.675970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.675970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.675970 (E_RNA)
where:
Base-Base interactions energy: -39.438
where: short stacking energy: -39.438
Base-Backbone interact. energy: 0.490
local terms energy: -59.728025
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -8.395
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: 5
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -83.877803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.877803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.877803 (E_RNA)
where:
Base-Base interactions energy: -41.698
where: short stacking energy: -39.038
Base-Backbone interact. energy: -0.195
local terms energy: -41.984876
where:
bonds (distance) C4'-P energy: -6.821
bonds (distance) P-C4' energy: -11.828
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -5.761
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: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -72.420955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.420955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.420955 (E_RNA)
where:
Base-Base interactions energy: -24.333
where: short stacking energy: -24.733
Base-Backbone interact. energy: -0.273
local terms energy: -47.815144
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -13.813
flat angles C4'-P-C4' energy: -9.222
flat angles P-C4'-P energy: -7.206
tors. eta vs tors. theta energy: -1.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -228.584987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.584987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.584987 (E_RNA)
where:
Base-Base interactions energy: -155.547
where: short stacking energy: -66.036
Base-Backbone interact. energy: -0.292
local terms energy: -72.745908
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -17.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -220.816120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.816120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.816120 (E_RNA)
where:
Base-Base interactions energy: -147.064
where: short stacking energy: -71.682
Base-Backbone interact. energy: -0.250
local terms energy: -73.501305
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -12.646
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -22.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -208.401703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.401703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.401703 (E_RNA)
where:
Base-Base interactions energy: -132.837
where: short stacking energy: -67.041
Base-Backbone interact. energy: 0.499
local terms energy: -76.063384
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -17.640
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: 6
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -193.892403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.892403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.892403 (E_RNA)
where:
Base-Base interactions energy: -127.159
where: short stacking energy: -64.054
Base-Backbone interact. energy: -0.002
local terms energy: -66.730885
where:
bonds (distance) C4'-P energy: -10.475
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -6.870
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -147.376337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.376337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.376337 (E_RNA)
where:
Base-Base interactions energy: -83.972
where: short stacking energy: -46.258
Base-Backbone interact. energy: -0.664
local terms energy: -62.739705
where:
bonds (distance) C4'-P energy: -11.573
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -11.164
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: 6, replica: 1
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -183.001783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.001783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.001783 (E_RNA)
where:
Base-Base interactions energy: -125.096
where: short stacking energy: -37.782
Base-Backbone interact. energy: -0.985
local terms energy: -56.920455
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -11.818
flat angles C4'-P-C4' energy: -11.075
flat angles P-C4'-P energy: -11.138
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: 7, replica: 4
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -179.238110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.238110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.238110 (E_RNA)
where:
Base-Base interactions energy: -118.828
where: short stacking energy: -51.229
Base-Backbone interact. energy: -0.262
local terms energy: -60.147499
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -9.692
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: 8, replica: 9
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -81.297251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.297251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.297251 (E_RNA)
where:
Base-Base interactions energy: -27.054
where: short stacking energy: -27.054
Base-Backbone interact. energy: -0.114
local terms energy: -54.129099
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -15.157
flat angles C4'-P-C4' energy: -9.486
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -1.667
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: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -93.244503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.244503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.244503 (E_RNA)
where:
Base-Base interactions energy: -47.680
where: short stacking energy: -28.199
Base-Backbone interact. energy: -0.345
local terms energy: -45.219820
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -9.433
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -3.314
tors. eta vs tors. theta energy: -5.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -83.995107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.995107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.995107 (E_RNA)
where:
Base-Base interactions energy: -26.813
where: short stacking energy: -25.062
Base-Backbone interact. energy: -0.028
local terms energy: -57.153466
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -1.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -229.153776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.153776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.153776 (E_RNA)
where:
Base-Base interactions energy: -150.737
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.000
local terms energy: -78.416334
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.394
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -219.612603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.612603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.612603 (E_RNA)
where:
Base-Base interactions energy: -142.399
where: short stacking energy: -69.411
Base-Backbone interact. energy: -0.003
local terms energy: -77.210173
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -12.582
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -21.134
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: 2
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -219.056321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.056321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.056321 (E_RNA)
where:
Base-Base interactions energy: -145.105
where: short stacking energy: -67.416
Base-Backbone interact. energy: -0.628
local terms energy: -73.323676
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -18.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -191.331143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.331143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.331143 (E_RNA)
where:
Base-Base interactions energy: -124.760
where: short stacking energy: -55.648
Base-Backbone interact. energy: -0.708
local terms energy: -65.862930
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -18.218
flat angles C4'-P-C4' energy: -9.657
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -157.810475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.810475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.810475 (E_RNA)
where:
Base-Base interactions energy: -88.682
where: short stacking energy: -54.581
Base-Backbone interact. energy: 0.005
local terms energy: -69.132766
where:
bonds (distance) C4'-P energy: -16.098
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.838
flat angles P-C4'-P energy: -9.814
tors. eta vs tors. theta energy: -14.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -185.321602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.321602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.321602 (E_RNA)
where:
Base-Base interactions energy: -122.303
where: short stacking energy: -54.810
Base-Backbone interact. energy: -0.142
local terms energy: -62.876104
where:
bonds (distance) C4'-P energy: -12.421
bonds (distance) P-C4' energy: -15.063
flat angles C4'-P-C4' energy: -12.004
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -12.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -169.145319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.145319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.145319 (E_RNA)
where:
Base-Base interactions energy: -119.122
where: short stacking energy: -56.931
Base-Backbone interact. energy: -0.175
local terms energy: -49.848787
where:
bonds (distance) C4'-P energy: -4.962
bonds (distance) P-C4' energy: -11.835
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -5.654
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -84.604627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.604627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.604627 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -30.664
Base-Backbone interact. energy: -0.061
local terms energy: -52.422318
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -6.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -79.550625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.550625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.550625 (E_RNA)
where:
Base-Base interactions energy: -34.415
where: short stacking energy: -33.719
Base-Backbone interact. energy: -0.108
local terms energy: -45.027819
where:
bonds (distance) C4'-P energy: -9.039
bonds (distance) P-C4' energy: -13.611
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -8.422
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: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -78.865828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.865828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.865828 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -14.747
Base-Backbone interact. energy: 0.068
local terms energy: -40.715180
where:
bonds (distance) C4'-P energy: -7.806
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -10.832
flat angles P-C4'-P energy: -10.176
tors. eta vs tors. theta energy: 0.802
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: 10
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -220.052392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.052392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.052392 (E_RNA)
where:
Base-Base interactions energy: -149.058
where: short stacking energy: -64.574
Base-Backbone interact. energy: -0.199
local terms energy: -70.796163
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -14.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -225.617682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.617682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.617682 (E_RNA)
where:
Base-Base interactions energy: -143.195
where: short stacking energy: -76.312
Base-Backbone interact. energy: -0.534
local terms energy: -81.888275
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -12.362
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: 2
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -218.894709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.894709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.894709 (E_RNA)
where:
Base-Base interactions energy: -151.080
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.416
local terms energy: -67.398736
where:
bonds (distance) C4'-P energy: -9.665
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -19.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -195.062900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.062900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.062900 (E_RNA)
where:
Base-Base interactions energy: -132.558
where: short stacking energy: -68.205
Base-Backbone interact. energy: 0.636
local terms energy: -63.140729
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -10.338
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -18.643
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: 8
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -153.180062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.180062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.180062 (E_RNA)
where:
Base-Base interactions energy: -90.661
where: short stacking energy: -54.057
Base-Backbone interact. energy: -0.573
local terms energy: -61.945676
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -7.955
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -13.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -187.826608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.826608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.826608 (E_RNA)
where:
Base-Base interactions energy: -119.161
where: short stacking energy: -53.389
Base-Backbone interact. energy: 0.289
local terms energy: -68.955244
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -9.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -166.161748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.161748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.161748 (E_RNA)
where:
Base-Base interactions energy: -96.391
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.114
local terms energy: -69.655974
where:
bonds (distance) C4'-P energy: -16.206
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -13.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -86.978007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.978007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.978007 (E_RNA)
where:
Base-Base interactions energy: -35.761
where: short stacking energy: -35.761
Base-Backbone interact. energy: 0.922
local terms energy: -52.138240
where:
bonds (distance) C4'-P energy: -13.316
bonds (distance) P-C4' energy: -11.878
flat angles C4'-P-C4' energy: -11.592
flat angles P-C4'-P energy: -11.284
tors. eta vs tors. theta energy: -4.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -77.647034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.647034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.647034 (E_RNA)
where:
Base-Base interactions energy: -33.841
where: short stacking energy: -24.511
Base-Backbone interact. energy: -0.079
local terms energy: -43.727130
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -10.685
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -4.598
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: 10, replica: 5
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -83.354037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.354037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.354037 (E_RNA)
where:
Base-Base interactions energy: -28.759
where: short stacking energy: -28.759
Base-Backbone interact. energy: -0.059
local terms energy: -54.535814
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -0.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -227.111444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.111444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.111444 (E_RNA)
where:
Base-Base interactions energy: -144.429
where: short stacking energy: -68.351
Base-Backbone interact. energy: -0.033
local terms energy: -82.649757
where:
bonds (distance) C4'-P energy: -11.403
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -223.143391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.143391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.143391 (E_RNA)
where:
Base-Base interactions energy: -144.271
where: short stacking energy: -66.115
Base-Backbone interact. energy: -0.249
local terms energy: -78.623260
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -220.455161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.455161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.455161 (E_RNA)
where:
Base-Base interactions energy: -143.474
where: short stacking energy: -72.082
Base-Backbone interact. energy: -0.015
local terms energy: -76.966767
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -21.247
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -199.686007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.686007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.686007 (E_RNA)
where:
Base-Base interactions energy: -130.000
where: short stacking energy: -62.225
Base-Backbone interact. energy: -0.123
local terms energy: -69.562810
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -14.086
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -15.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -186.536910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.536910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.536910 (E_RNA)
where:
Base-Base interactions energy: -126.093
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.044
local terms energy: -60.399359
where:
bonds (distance) C4'-P energy: -9.503
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -12.612
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -135.791320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.791320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.791320 (E_RNA)
where:
Base-Base interactions energy: -81.254
where: short stacking energy: -38.445
Base-Backbone interact. energy: -0.087
local terms energy: -54.449645
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -8.116
tors. eta vs tors. theta energy: -5.314
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: 4
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -170.122600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.122600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.122600 (E_RNA)
where:
Base-Base interactions energy: -108.140
where: short stacking energy: -49.115
Base-Backbone interact. energy: -0.018
local terms energy: -61.963916
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -12.182
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.528
tors. eta vs tors. theta energy: -14.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -86.070353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.070353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.070353 (E_RNA)
where:
Base-Base interactions energy: -38.472
where: short stacking energy: -20.361
Base-Backbone interact. energy: -0.388
local terms energy: -47.210367
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -11.449
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: 1.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -95.551079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.551079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.551079 (E_RNA)
where:
Base-Base interactions energy: -47.077
where: short stacking energy: -27.832
Base-Backbone interact. energy: -0.071
local terms energy: -48.402244
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -11.886
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -2.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -77.204872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.204872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.204872 (E_RNA)
where:
Base-Base interactions energy: -36.249
where: short stacking energy: -35.646
Base-Backbone interact. energy: 1.061
local terms energy: -42.016417
where:
bonds (distance) C4'-P energy: -4.150
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -10.818
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -218.771630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.771630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.771630 (E_RNA)
where:
Base-Base interactions energy: -142.850
where: short stacking energy: -69.094
Base-Backbone interact. energy: -0.260
local terms energy: -75.661656
where:
bonds (distance) C4'-P energy: -10.867
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -19.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -211.969015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.969015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.969015 (E_RNA)
where:
Base-Base interactions energy: -139.422
where: short stacking energy: -75.854
Base-Backbone interact. energy: -0.094
local terms energy: -72.453572
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -7.027
tors. eta vs tors. theta energy: -18.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -224.643194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.643194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.643194 (E_RNA)
where:
Base-Base interactions energy: -144.514
where: short stacking energy: -73.408
Base-Backbone interact. energy: -0.122
local terms energy: -80.007135
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -11.260
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: 4, replica: 6
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -196.841119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.841119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.841119 (E_RNA)
where:
Base-Base interactions energy: -128.817
where: short stacking energy: -62.406
Base-Backbone interact. energy: -0.155
local terms energy: -67.869176
where:
bonds (distance) C4'-P energy: -13.233
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -5.702
tors. eta vs tors. theta energy: -19.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -183.257041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.257041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.257041 (E_RNA)
where:
Base-Base interactions energy: -112.827
where: short stacking energy: -56.829
Base-Backbone interact. energy: -0.061
local terms energy: -70.368899
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -10.895
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: 4
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -179.889642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.889642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.889642 (E_RNA)
where:
Base-Base interactions energy: -113.395
where: short stacking energy: -60.098
Base-Backbone interact. energy: -0.033
local terms energy: -66.462013
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -11.667
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -15.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -120.926932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.926932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.926932 (E_RNA)
where:
Base-Base interactions energy: -67.573
where: short stacking energy: -33.815
Base-Backbone interact. energy: 0.122
local terms energy: -53.476138
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -10.421
flat angles P-C4'-P energy: -8.551
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: 8, replica: 9
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -85.297060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.297060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.297060 (E_RNA)
where:
Base-Base interactions energy: -29.550
where: short stacking energy: -29.550
Base-Backbone interact. energy: -0.089
local terms energy: -55.657879
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -11.882
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: 3
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -85.111469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.111469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.111469 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.290
local terms energy: -48.465559
where:
bonds (distance) C4'-P energy: -9.590
bonds (distance) P-C4' energy: -11.880
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -8.104
tors. eta vs tors. theta energy: -8.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -72.596738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.596738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.596738 (E_RNA)
where:
Base-Base interactions energy: -23.987
where: short stacking energy: -23.150
Base-Backbone interact. energy: -0.087
local terms energy: -48.522903
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -9.470
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: 2
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -223.035413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.035413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.035413 (E_RNA)
where:
Base-Base interactions energy: -145.211
where: short stacking energy: -72.621
Base-Backbone interact. energy: -0.156
local terms energy: -77.668139
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -20.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -219.702932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.702932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.702932 (E_RNA)
where:
Base-Base interactions energy: -145.995
where: short stacking energy: -67.243
Base-Backbone interact. energy: 1.223
local terms energy: -74.931045
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -201.137613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.137613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.137613 (E_RNA)
where:
Base-Base interactions energy: -128.722
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.011
local terms energy: -72.403955
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -17.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -216.595290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.595290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.595290 (E_RNA)
where:
Base-Base interactions energy: -143.292
where: short stacking energy: -66.616
Base-Backbone interact. energy: -0.001
local terms energy: -73.302389
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.219
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: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -183.904253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.904253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.904253 (E_RNA)
where:
Base-Base interactions energy: -120.095
where: short stacking energy: -56.632
Base-Backbone interact. energy: -0.007
local terms energy: -63.801847
where:
bonds (distance) C4'-P energy: -15.328
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -14.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -178.883971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.883971 (E_RNA)
where:
Base-Base interactions energy: -111.471
where: short stacking energy: -47.844
Base-Backbone interact. energy: -0.701
local terms energy: -66.712081
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -11.952
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -13.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -128.552266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.552266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.552266 (E_RNA)
where:
Base-Base interactions energy: -72.315
where: short stacking energy: -38.814
Base-Backbone interact. energy: -0.073
local terms energy: -56.163741
where:
bonds (distance) C4'-P energy: -9.648
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -11.284
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -7.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -86.844666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844666 (E_RNA)
where:
Base-Base interactions energy: -36.601
where: short stacking energy: -15.697
Base-Backbone interact. energy: 0.804
local terms energy: -51.048073
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -6.677
tors. eta vs tors. theta energy: 3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -98.948715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.948715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.948715 (E_RNA)
where:
Base-Base interactions energy: -47.872
where: short stacking energy: -24.404
Base-Backbone interact. energy: -0.432
local terms energy: -50.644720
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: 1.013
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: 3
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -79.216613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.216613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.216613 (E_RNA)
where:
Base-Base interactions energy: -28.736
where: short stacking energy: -28.736
Base-Backbone interact. energy: -0.122
local terms energy: -50.358086
where:
bonds (distance) C4'-P energy: -14.300
bonds (distance) P-C4' energy: -7.924
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -3.460
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: 2
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -227.685923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.685923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.685923 (E_RNA)
where:
Base-Base interactions energy: -150.008
where: short stacking energy: -78.830
Base-Backbone interact. energy: -0.471
local terms energy: -77.206664
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.408
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -21.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -229.861336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.861336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.861336 (E_RNA)
where:
Base-Base interactions energy: -148.901
where: short stacking energy: -73.105
Base-Backbone interact. energy: -0.172
local terms energy: -80.787639
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -14.191
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -11.061
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: 3, replica: 6
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -209.081138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.081138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.081138 (E_RNA)
where:
Base-Base interactions energy: -131.748
where: short stacking energy: -63.457
Base-Backbone interact. energy: 0.800
local terms energy: -78.133084
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -19.190
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: 10
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -220.866351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.866351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.866351 (E_RNA)
where:
Base-Base interactions energy: -143.495
where: short stacking energy: -68.684
Base-Backbone interact. energy: -0.941
local terms energy: -76.429681
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -18.912
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.853
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: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -184.621273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.621273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.621273 (E_RNA)
where:
Base-Base interactions energy: -126.626
where: short stacking energy: -58.743
Base-Backbone interact. energy: -0.002
local terms energy: -57.993280
where:
bonds (distance) C4'-P energy: -10.920
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -15.617
flat angles P-C4'-P energy: -1.834
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: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -167.442885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.442885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.442885 (E_RNA)
where:
Base-Base interactions energy: -113.683
where: short stacking energy: -45.120
Base-Backbone interact. energy: -0.273
local terms energy: -53.486895
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -7.301
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: 7, replica: 8
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -144.487354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.487354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.487354 (E_RNA)
where:
Base-Base interactions energy: -92.417
where: short stacking energy: -52.897
Base-Backbone interact. energy: -0.148
local terms energy: -51.922257
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -2.698
tors. eta vs tors. theta energy: -6.572
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: 333
Temperature: 1.250000
Total energy: -101.507984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.507984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.507984 (E_RNA)
where:
Base-Base interactions energy: -47.563
where: short stacking energy: -39.270
Base-Backbone interact. energy: 0.689
local terms energy: -54.633561
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -7.149
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -6.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -95.116143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.116143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.116143 (E_RNA)
where:
Base-Base interactions energy: -54.670
where: short stacking energy: -28.254
Base-Backbone interact. energy: 1.073
local terms energy: -41.519145
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: 0.157
tors. eta vs tors. theta energy: -1.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -77.422259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.422259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.422259 (E_RNA)
where:
Base-Base interactions energy: -26.512
where: short stacking energy: -17.514
Base-Backbone interact. energy: -0.081
local terms energy: -50.829249
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -10.431
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: 7
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -208.350908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.350908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.350908 (E_RNA)
where:
Base-Base interactions energy: -137.329
where: short stacking energy: -74.380
Base-Backbone interact. energy: -0.003
local terms energy: -71.018520
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -16.424
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -10.603
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: 2
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -224.914187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.914187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.914187 (E_RNA)
where:
Base-Base interactions energy: -150.240
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.013
local terms energy: -74.661528
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -12.398
flat angles P-C4'-P energy: -13.412
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: 3, replica: 10
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -234.454189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.454189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.454189 (E_RNA)
where:
Base-Base interactions energy: -155.200
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.000
local terms energy: -79.254127
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -15.489
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -23.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -208.808281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.808281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.808281 (E_RNA)
where:
Base-Base interactions energy: -133.993
where: short stacking energy: -65.383
Base-Backbone interact. energy: -0.390
local terms energy: -74.424878
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -188.093823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.093823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.093823 (E_RNA)
where:
Base-Base interactions energy: -120.492
where: short stacking energy: -51.972
Base-Backbone interact. energy: -0.040
local terms energy: -67.561929
where:
bonds (distance) C4'-P energy: -17.009
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -8.385
tors. eta vs tors. theta energy: -14.229
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: 1
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -181.289037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.289037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.289037 (E_RNA)
where:
Base-Base interactions energy: -118.427
where: short stacking energy: -61.184
Base-Backbone interact. energy: -0.175
local terms energy: -62.686627
where:
bonds (distance) C4'-P energy: -12.861
bonds (distance) P-C4' energy: -11.062
flat angles C4'-P-C4' energy: -12.700
flat angles P-C4'-P energy: -6.899
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -138.577047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.577047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.577047 (E_RNA)
where:
Base-Base interactions energy: -91.335
where: short stacking energy: -41.336
Base-Backbone interact. energy: -0.227
local terms energy: -47.014856
where:
bonds (distance) C4'-P energy: -8.253
bonds (distance) P-C4' energy: -11.763
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -6.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -91.680574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.680574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.680574 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.551
local terms energy: -57.409197
where:
bonds (distance) C4'-P energy: -11.768
bonds (distance) P-C4' energy: -11.663
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -10.223
tors. eta vs tors. theta energy: -9.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -92.634464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.634464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.634464 (E_RNA)
where:
Base-Base interactions energy: -48.072
where: short stacking energy: -23.358
Base-Backbone interact. energy: 0.009
local terms energy: -44.571452
where:
bonds (distance) C4'-P energy: -8.624
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -2.258
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -76.768510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.768510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.768510 (E_RNA)
where:
Base-Base interactions energy: -33.206
where: short stacking energy: -33.206
Base-Backbone interact. energy: 0.054
local terms energy: -43.615819
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -6.899
flat angles P-C4'-P energy: -5.818
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: 7
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -225.337048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.337048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.337048 (E_RNA)
where:
Base-Base interactions energy: -144.205
where: short stacking energy: -68.060
Base-Backbone interact. energy: -0.297
local terms energy: -80.834856
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -23.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -227.661139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.661139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.661139 (E_RNA)
where:
Base-Base interactions energy: -153.784
where: short stacking energy: -73.546
Base-Backbone interact. energy: 0.865
local terms energy: -74.742207
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -216.117772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.117772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.117772 (E_RNA)
where:
Base-Base interactions energy: -144.274
where: short stacking energy: -69.280
Base-Backbone interact. energy: -0.437
local terms energy: -71.407192
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -189.971637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.971637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.971637 (E_RNA)
where:
Base-Base interactions energy: -123.640
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.072
local terms energy: -66.259562
where:
bonds (distance) C4'-P energy: -12.443
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -14.403
flat angles P-C4'-P energy: -7.192
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -190.334668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.334668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.334668 (E_RNA)
where:
Base-Base interactions energy: -120.895
where: short stacking energy: -57.953
Base-Backbone interact. energy: -0.008
local terms energy: -69.431797
where:
bonds (distance) C4'-P energy: -15.026
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.014
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -175.785029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.785029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.785029 (E_RNA)
where:
Base-Base interactions energy: -109.844
where: short stacking energy: -49.609
Base-Backbone interact. energy: 0.993
local terms energy: -66.934433
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -14.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -132.203809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.203809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.203809 (E_RNA)
where:
Base-Base interactions energy: -77.767
where: short stacking energy: -40.733
Base-Backbone interact. energy: -0.192
local terms energy: -54.244390
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -7.873
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: 8, replica: 9
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -99.125472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.125472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.125472 (E_RNA)
where:
Base-Base interactions energy: -52.726
where: short stacking energy: -29.336
Base-Backbone interact. energy: -0.518
local terms energy: -45.881513
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: 0.138
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: 5
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -87.338236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.338236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.338236 (E_RNA)
where:
Base-Base interactions energy: -40.855
where: short stacking energy: -17.545
Base-Backbone interact. energy: -0.156
local terms energy: -46.327864
where:
bonds (distance) C4'-P energy: -11.135
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -8.159
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: 10, replica: 3
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -89.978648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.978648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.978648 (E_RNA)
where:
Base-Base interactions energy: -32.802
where: short stacking energy: -21.222
Base-Backbone interact. energy: -0.735
local terms energy: -56.441394
where:
bonds (distance) C4'-P energy: -12.720
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -13.535
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -2.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -232.587324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.587324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.587324 (E_RNA)
where:
Base-Base interactions energy: -156.618
where: short stacking energy: -74.983
Base-Backbone interact. energy: 1.634
local terms energy: -77.603051
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -14.183
flat angles P-C4'-P energy: -12.946
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: 2, replica: 7
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -224.301762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.301762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.301762 (E_RNA)
where:
Base-Base interactions energy: -144.842
where: short stacking energy: -72.927
Base-Backbone interact. energy: 0.325
local terms energy: -79.784330
where:
bonds (distance) C4'-P energy: -14.813
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.456
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -226.366980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.366980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.366980 (E_RNA)
where:
Base-Base interactions energy: -151.931
where: short stacking energy: -76.522
Base-Backbone interact. energy: -0.003
local terms energy: -74.432670
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -12.024
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -20.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -177.043847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.043847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.043847 (E_RNA)
where:
Base-Base interactions energy: -113.075
where: short stacking energy: -56.363
Base-Backbone interact. energy: -0.021
local terms energy: -63.948070
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -9.435
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: 6
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -203.462064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.462064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.462064 (E_RNA)
where:
Base-Base interactions energy: -132.307
where: short stacking energy: -67.424
Base-Backbone interact. energy: -0.496
local terms energy: -70.659329
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -14.855
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -182.003673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.003673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.003673 (E_RNA)
where:
Base-Base interactions energy: -120.427
where: short stacking energy: -48.940
Base-Backbone interact. energy: -0.179
local terms energy: -61.397578
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -11.209
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -8.182
tors. eta vs tors. theta energy: -12.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -125.308608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.308608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.308608 (E_RNA)
where:
Base-Base interactions energy: -79.486
where: short stacking energy: -35.702
Base-Backbone interact. energy: -0.409
local terms energy: -45.413418
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -10.836
flat angles P-C4'-P energy: -8.996
tors. eta vs tors. theta energy: 2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -102.516992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.516992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.516992 (E_RNA)
where:
Base-Base interactions energy: -49.952
where: short stacking energy: -28.959
Base-Backbone interact. energy: -0.269
local terms energy: -52.295219
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -8.992
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -3.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -89.223090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.223090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.223090 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -34.988
Base-Backbone interact. energy: -0.017
local terms energy: -54.218539
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -4.668
tors. eta vs tors. theta energy: -8.802
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: 336
Temperature: 1.350000
Total energy: -72.538905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.538905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.538905 (E_RNA)
where:
Base-Base interactions energy: -28.308
where: short stacking energy: -13.035
Base-Backbone interact. energy: -0.264
local terms energy: -43.967010
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -3.704
tors. eta vs tors. theta energy: 3.725
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: 10
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -233.153229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.153229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.153229 (E_RNA)
where:
Base-Base interactions energy: -160.061
where: short stacking energy: -78.643
Base-Backbone interact. energy: 1.684
local terms energy: -74.775781
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -11.375
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -11.736
tors. eta vs tors. theta energy: -20.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -221.839356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.839356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.839356 (E_RNA)
where:
Base-Base interactions energy: -145.923
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.013
local terms energy: -75.903209
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -14.015
flat angles P-C4'-P energy: -12.194
tors. eta vs tors. theta energy: -18.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -213.073444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.073444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.073444 (E_RNA)
where:
Base-Base interactions energy: -139.320
where: short stacking energy: -75.347
Base-Backbone interact. energy: -0.321
local terms energy: -73.433011
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -12.743
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -8.769
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: 4, replica: 4
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -178.163020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.163020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.163020 (E_RNA)
where:
Base-Base interactions energy: -111.817
where: short stacking energy: -55.073
Base-Backbone interact. energy: -0.010
local terms energy: -66.336482
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -10.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -196.948970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.948970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.948970 (E_RNA)
where:
Base-Base interactions energy: -126.029
where: short stacking energy: -62.920
Base-Backbone interact. energy: -0.007
local terms energy: -70.912828
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -18.451
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -9.351
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: 8
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -122.892440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.892440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.892440 (E_RNA)
where:
Base-Base interactions energy: -69.574
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.118
local terms energy: -53.200943
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -13.852
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -7.812
tors. eta vs tors. theta energy: -3.126
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: 1
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -179.400996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.400996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.400996 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -50.710
Base-Backbone interact. energy: -0.085
local terms energy: -58.421788
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.874
flat angles P-C4'-P energy: -7.500
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: 8, replica: 9
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -99.579911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.579911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.579911 (E_RNA)
where:
Base-Base interactions energy: -49.721
where: short stacking energy: -27.674
Base-Backbone interact. energy: -0.246
local terms energy: -49.613408
where:
bonds (distance) C4'-P energy: -11.192
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -3.719
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -82.040766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.040766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.040766 (E_RNA)
where:
Base-Base interactions energy: -29.633
where: short stacking energy: -28.187
Base-Backbone interact. energy: -0.136
local terms energy: -52.271450
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -11.292
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: 0.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -80.120223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.120223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.120223 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -31.300
Base-Backbone interact. energy: -0.072
local terms energy: -47.569139
where:
bonds (distance) C4'-P energy: -9.221
bonds (distance) P-C4' energy: -13.289
flat angles C4'-P-C4' energy: -9.230
flat angles P-C4'-P energy: -10.969
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: 1, replica: 10
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -231.887846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.887846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.887846 (E_RNA)
where:
Base-Base interactions energy: -151.719
where: short stacking energy: -81.715
Base-Backbone interact. energy: 2.127
local terms energy: -82.295632
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.064
tors. eta vs tors. theta energy: -18.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -224.463494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.463494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.463494 (E_RNA)
where:
Base-Base interactions energy: -143.694
where: short stacking energy: -66.632
Base-Backbone interact. energy: -0.785
local terms energy: -79.984454
where:
bonds (distance) C4'-P energy: -17.878
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -218.399195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.399195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.399195 (E_RNA)
where:
Base-Base interactions energy: -143.849
where: short stacking energy: -59.159
Base-Backbone interact. energy: -0.440
local terms energy: -74.110740
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -21.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -185.137279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.137279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.137279 (E_RNA)
where:
Base-Base interactions energy: -125.939
where: short stacking energy: -64.170
Base-Backbone interact. energy: -0.044
local terms energy: -59.154142
where:
bonds (distance) C4'-P energy: -10.191
bonds (distance) P-C4' energy: -11.377
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -14.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -182.289256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.289256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.289256 (E_RNA)
where:
Base-Base interactions energy: -117.070
where: short stacking energy: -53.071
Base-Backbone interact. energy: 3.984
local terms energy: -69.203440
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -11.568
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -13.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -105.276391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.276391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.276391 (E_RNA)
where:
Base-Base interactions energy: -54.197
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.078
local terms energy: -51.001184
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -13.191
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -1.684
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: 1
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -182.638879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.638879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.638879 (E_RNA)
where:
Base-Base interactions energy: -124.867
where: short stacking energy: -55.878
Base-Backbone interact. energy: -0.651
local terms energy: -57.120679
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -11.733
flat angles P-C4'-P energy: -3.895
tors. eta vs tors. theta energy: -11.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -83.418559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.418559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.418559 (E_RNA)
where:
Base-Base interactions energy: -42.453
where: short stacking energy: -26.412
Base-Backbone interact. energy: -0.439
local terms energy: -40.526309
where:
bonds (distance) C4'-P energy: -8.513
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -7.183
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: 9, replica: 5
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -73.963314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.963314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.963314 (E_RNA)
where:
Base-Base interactions energy: -27.710
where: short stacking energy: -27.710
Base-Backbone interact. energy: -0.074
local terms energy: -46.179272
where:
bonds (distance) C4'-P energy: -12.865
bonds (distance) P-C4' energy: -13.274
flat angles C4'-P-C4' energy: -16.086
flat angles P-C4'-P energy: -1.887
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -73.650519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.650519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.650519 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -21.753
Base-Backbone interact. energy: 0.769
local terms energy: -41.609292
where:
bonds (distance) C4'-P energy: -11.318
bonds (distance) P-C4' energy: -12.094
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.567
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: 1, replica: 10
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -225.694309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.694309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.694309 (E_RNA)
where:
Base-Base interactions energy: -144.620
where: short stacking energy: -67.277
Base-Backbone interact. energy: 1.295
local terms energy: -82.369334
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -18.951
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -214.905700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.905700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.905700 (E_RNA)
where:
Base-Base interactions energy: -141.831
where: short stacking energy: -75.346
Base-Backbone interact. energy: -0.005
local terms energy: -73.069961
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -14.197
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -9.413
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: 3, replica: 7
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -220.607365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.607365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.607365 (E_RNA)
where:
Base-Base interactions energy: -150.185
where: short stacking energy: -66.522
Base-Backbone interact. energy: -0.002
local terms energy: -70.420956
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -7.520
flat angles C4'-P-C4' energy: -15.291
flat angles P-C4'-P energy: -12.186
tors. eta vs tors. theta energy: -18.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -200.526898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.526898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.526898 (E_RNA)
where:
Base-Base interactions energy: -136.819
where: short stacking energy: -60.038
Base-Backbone interact. energy: -0.193
local terms energy: -63.515084
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -7.411
tors. eta vs tors. theta energy: -15.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -182.082201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.082201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.082201 (E_RNA)
where:
Base-Base interactions energy: -121.261
where: short stacking energy: -60.663
Base-Backbone interact. energy: 0.169
local terms energy: -60.990167
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -7.674
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -13.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -179.893918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.893918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.893918 (E_RNA)
where:
Base-Base interactions energy: -115.418
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.087
local terms energy: -64.388658
where:
bonds (distance) C4'-P energy: -15.213
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -7.977
tors. eta vs tors. theta energy: -13.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -84.600150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.600150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.600150 (E_RNA)
where:
Base-Base interactions energy: -32.854
where: short stacking energy: -32.854
Base-Backbone interact. energy: -0.187
local terms energy: -51.559190
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -10.911
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -94.058151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.058151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.058151 (E_RNA)
where:
Base-Base interactions energy: -38.410
where: short stacking energy: -33.643
Base-Backbone interact. energy: -0.055
local terms energy: -55.593505
where:
bonds (distance) C4'-P energy: -12.009
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -7.487
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: 9, replica: 9
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -78.496564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.496564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.496564 (E_RNA)
where:
Base-Base interactions energy: -29.731
where: short stacking energy: -28.435
Base-Backbone interact. energy: 0.531
local terms energy: -49.295914
where:
bonds (distance) C4'-P energy: -16.388
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -8.621
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -81.295278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.295278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.295278 (E_RNA)
where:
Base-Base interactions energy: -47.974
where: short stacking energy: -17.326
Base-Backbone interact. energy: -0.514
local terms energy: -32.807367
where:
bonds (distance) C4'-P energy: -9.229
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -11.104
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: 6.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -230.859275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.859275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.859275 (E_RNA)
where:
Base-Base interactions energy: -150.595
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.575
local terms energy: -79.689789
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.366
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -229.402669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.402669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.402669 (E_RNA)
where:
Base-Base interactions energy: -155.917
where: short stacking energy: -76.957
Base-Backbone interact. energy: 1.307
local terms energy: -74.792130
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -13.905
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -20.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -212.643654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.643654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.643654 (E_RNA)
where:
Base-Base interactions energy: -137.866
where: short stacking energy: -60.689
Base-Backbone interact. energy: -0.022
local terms energy: -74.755296
where:
bonds (distance) C4'-P energy: -11.937
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -18.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -183.440280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.440280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.440280 (E_RNA)
where:
Base-Base interactions energy: -113.325
where: short stacking energy: -63.609
Base-Backbone interact. energy: -0.004
local terms energy: -70.110973
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -5.518
tors. eta vs tors. theta energy: -17.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -177.607835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.607835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.607835 (E_RNA)
where:
Base-Base interactions energy: -112.033
where: short stacking energy: -47.963
Base-Backbone interact. energy: 0.684
local terms energy: -66.258124
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -14.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -174.982118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.982118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.982118 (E_RNA)
where:
Base-Base interactions energy: -115.288
where: short stacking energy: -51.734
Base-Backbone interact. energy: -0.044
local terms energy: -59.650053
where:
bonds (distance) C4'-P energy: -8.168
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -6.112
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: 5
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -86.486458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.486458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.486458 (E_RNA)
where:
Base-Base interactions energy: -41.026
where: short stacking energy: -25.430
Base-Backbone interact. energy: 0.472
local terms energy: -45.932975
where:
bonds (distance) C4'-P energy: -7.055
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -13.099
flat angles P-C4'-P energy: -10.345
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: 8, replica: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -89.479647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.479647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.479647 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -26.080
Base-Backbone interact. energy: 0.207
local terms energy: -49.734260
where:
bonds (distance) C4'-P energy: -11.495
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -6.714
tors. eta vs tors. theta energy: -2.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -82.182658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.182658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.182658 (E_RNA)
where:
Base-Base interactions energy: -29.698
where: short stacking energy: -29.698
Base-Backbone interact. energy: -0.829
local terms energy: -51.656278
where:
bonds (distance) C4'-P energy: -12.037
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: -5.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -75.668132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.668132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.668132 (E_RNA)
where:
Base-Base interactions energy: -30.593
where: short stacking energy: -22.907
Base-Backbone interact. energy: -0.453
local terms energy: -44.622223
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -11.156
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: 2.570
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: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -227.538436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.538436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.538436 (E_RNA)
where:
Base-Base interactions energy: -154.356
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.007
local terms energy: -73.176086
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -21.719
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: 2, replica: 7
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -212.021209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.021209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.021209 (E_RNA)
where:
Base-Base interactions energy: -137.087
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.011
local terms energy: -74.923764
where:
bonds (distance) C4'-P energy: -8.787
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -19.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -216.857827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.857827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.857827 (E_RNA)
where:
Base-Base interactions energy: -148.779
where: short stacking energy: -71.760
Base-Backbone interact. energy: 1.296
local terms energy: -69.374379
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -13.396
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -19.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -186.910051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.910051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.910051 (E_RNA)
where:
Base-Base interactions energy: -113.529
where: short stacking energy: -55.028
Base-Backbone interact. energy: -0.034
local terms energy: -73.347273
where:
bonds (distance) C4'-P energy: -17.555
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -186.605216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.605216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.605216 (E_RNA)
where:
Base-Base interactions energy: -119.814
where: short stacking energy: -48.376
Base-Backbone interact. energy: -0.837
local terms energy: -65.953551
where:
bonds (distance) C4'-P energy: -12.266
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.913
flat angles P-C4'-P energy: -9.154
tors. eta vs tors. theta energy: -11.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -157.049398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.049398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.049398 (E_RNA)
where:
Base-Base interactions energy: -94.281
where: short stacking energy: -45.203
Base-Backbone interact. energy: -0.014
local terms energy: -62.754851
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -15.031
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -7.908
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: 341
Temperature: 1.200000
Total energy: -97.129598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.129598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.129598 (E_RNA)
where:
Base-Base interactions energy: -47.046
where: short stacking energy: -36.393
Base-Backbone interact. energy: -0.091
local terms energy: -49.992832
where:
bonds (distance) C4'-P energy: -15.543
bonds (distance) P-C4' energy: -10.549
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -3.783
tors. eta vs tors. theta energy: -5.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -91.385302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.385302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.385302 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -29.851
Base-Backbone interact. energy: -0.925
local terms energy: -49.055694
where:
bonds (distance) C4'-P energy: -14.612
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -12.794
flat angles P-C4'-P energy: -5.241
tors. eta vs tors. theta energy: -1.218
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: 9, replica: 9
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -73.810117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.810117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.810117 (E_RNA)
where:
Base-Base interactions energy: -29.617
where: short stacking energy: -27.002
Base-Backbone interact. energy: 1.000
local terms energy: -45.192951
where:
bonds (distance) C4'-P energy: -6.940
bonds (distance) P-C4' energy: -12.436
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -1.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -86.802581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.802581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.802581 (E_RNA)
where:
Base-Base interactions energy: -39.396
where: short stacking energy: -31.036
Base-Backbone interact. energy: -0.191
local terms energy: -47.215414
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -2.642
tors. eta vs tors. theta energy: -5.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -229.669498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.669498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.669498 (E_RNA)
where:
Base-Base interactions energy: -152.658
where: short stacking energy: -68.533
Base-Backbone interact. energy: -0.010
local terms energy: -77.002038
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -213.122356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.122356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.122356 (E_RNA)
where:
Base-Base interactions energy: -137.030
where: short stacking energy: -69.106
Base-Backbone interact. energy: -0.001
local terms energy: -76.091279
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -19.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -196.301138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.301138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.301138 (E_RNA)
where:
Base-Base interactions energy: -129.585
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.219
local terms energy: -66.496522
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -15.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -200.603531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.603531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.603531 (E_RNA)
where:
Base-Base interactions energy: -133.457
where: short stacking energy: -66.025
Base-Backbone interact. energy: -0.011
local terms energy: -67.135474
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -16.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -184.298107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.298107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.298107 (E_RNA)
where:
Base-Base interactions energy: -116.178
where: short stacking energy: -66.617
Base-Backbone interact. energy: -0.005
local terms energy: -68.115692
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -6.081
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -15.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -179.741466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.741466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.741466 (E_RNA)
where:
Base-Base interactions energy: -120.584
where: short stacking energy: -52.041
Base-Backbone interact. energy: -0.126
local terms energy: -59.031439
where:
bonds (distance) C4'-P energy: -12.090
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -10.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -97.094787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094787 (E_RNA)
where:
Base-Base interactions energy: -46.834
where: short stacking energy: -32.639
Base-Backbone interact. energy: -0.471
local terms energy: -49.790351
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -10.657
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: -3.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -96.092423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.092423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.092423 (E_RNA)
where:
Base-Base interactions energy: -40.327
where: short stacking energy: -40.327
Base-Backbone interact. energy: -0.137
local terms energy: -55.628429
where:
bonds (distance) C4'-P energy: -13.560
bonds (distance) P-C4' energy: -15.144
flat angles C4'-P-C4' energy: -12.622
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -7.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.243776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243776 (E_RNA)
where:
Base-Base interactions energy: -28.388
where: short stacking energy: -19.180
Base-Backbone interact. energy: 0.005
local terms energy: -54.860821
where:
bonds (distance) C4'-P energy: -12.554
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -90.695770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.695770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.695770 (E_RNA)
where:
Base-Base interactions energy: -36.267
where: short stacking energy: -30.619
Base-Backbone interact. energy: -0.184
local terms energy: -54.244857
where:
bonds (distance) C4'-P energy: -11.114
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -4.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -228.965179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.965179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.965179 (E_RNA)
where:
Base-Base interactions energy: -155.208
where: short stacking energy: -79.082
Base-Backbone interact. energy: -0.646
local terms energy: -73.110945
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -10.348
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -198.823045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.823045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.823045 (E_RNA)
where:
Base-Base interactions energy: -129.769
where: short stacking energy: -59.486
Base-Backbone interact. energy: -0.756
local terms energy: -68.298081
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -9.142
tors. eta vs tors. theta energy: -13.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -210.154985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.154985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.154985 (E_RNA)
where:
Base-Base interactions energy: -131.107
where: short stacking energy: -74.750
Base-Backbone interact. energy: -0.127
local terms energy: -78.920755
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -13.445
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: 4, replica: 4
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -174.217967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.217967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.217967 (E_RNA)
where:
Base-Base interactions energy: -113.354
where: short stacking energy: -52.525
Base-Backbone interact. energy: -0.054
local terms energy: -60.810692
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -15.795
flat angles C4'-P-C4' energy: -13.277
flat angles P-C4'-P energy: -11.302
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: 5, replica: 10
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -185.014551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.014551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.014551 (E_RNA)
where:
Base-Base interactions energy: -120.921
where: short stacking energy: -63.043
Base-Backbone interact. energy: -0.118
local terms energy: -63.975723
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -6.343
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -182.451893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.451893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.451893 (E_RNA)
where:
Base-Base interactions energy: -117.707
where: short stacking energy: -57.235
Base-Backbone interact. energy: -0.072
local terms energy: -64.673507
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -8.699
tors. eta vs tors. theta energy: -17.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -103.219059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219059 (E_RNA)
where:
Base-Base interactions energy: -49.507
where: short stacking energy: -31.448
Base-Backbone interact. energy: -0.168
local terms energy: -53.544143
where:
bonds (distance) C4'-P energy: -14.992
bonds (distance) P-C4' energy: -14.756
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -9.150
tors. eta vs tors. theta energy: -2.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -97.627151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.627151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.627151 (E_RNA)
where:
Base-Base interactions energy: -28.194
where: short stacking energy: -24.676
Base-Backbone interact. energy: -0.071
local terms energy: -69.361801
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -11.721
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: 9, replica: 5
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -88.806408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.806408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.806408 (E_RNA)
where:
Base-Base interactions energy: -42.127
where: short stacking energy: -26.587
Base-Backbone interact. energy: -0.370
local terms energy: -46.308915
where:
bonds (distance) C4'-P energy: -13.510
bonds (distance) P-C4' energy: -10.298
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -78.687124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.687124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.687124 (E_RNA)
where:
Base-Base interactions energy: -30.247
where: short stacking energy: -26.171
Base-Backbone interact. energy: -0.120
local terms energy: -48.320382
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.135
flat angles C4'-P-C4' energy: -8.284
flat angles P-C4'-P energy: -8.326
tors. eta vs tors. theta energy: -6.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -229.743275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.743275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.743275 (E_RNA)
where:
Base-Base interactions energy: -154.121
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.008
local terms energy: -75.614611
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -13.280
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -21.358
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: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -205.173770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.173770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.173770 (E_RNA)
where:
Base-Base interactions energy: -140.274
where: short stacking energy: -51.879
Base-Backbone interact. energy: -0.143
local terms energy: -64.757067
where:
bonds (distance) C4'-P energy: -11.475
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.371
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -189.682042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.682042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.682042 (E_RNA)
where:
Base-Base interactions energy: -126.648
where: short stacking energy: -66.027
Base-Backbone interact. energy: -0.007
local terms energy: -63.026553
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -13.737
flat angles C4'-P-C4' energy: -12.493
flat angles P-C4'-P energy: -8.589
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: 4, replica: 7
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -215.871358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.871358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.871358 (E_RNA)
where:
Base-Base interactions energy: -139.721
where: short stacking energy: -62.152
Base-Backbone interact. energy: -0.279
local terms energy: -75.871462
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -16.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -194.886855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.886855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.886855 (E_RNA)
where:
Base-Base interactions energy: -126.437
where: short stacking energy: -67.426
Base-Backbone interact. energy: -0.108
local terms energy: -68.342107
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -15.809
flat angles P-C4'-P energy: -4.933
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: 6, replica: 10
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -189.811323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.811323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.811323 (E_RNA)
where:
Base-Base interactions energy: -115.368
where: short stacking energy: -62.214
Base-Backbone interact. energy: -0.140
local terms energy: -74.303253
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -16.522
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -109.249619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.249619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.249619 (E_RNA)
where:
Base-Base interactions energy: -57.961
where: short stacking energy: -39.043
Base-Backbone interact. energy: -0.060
local terms energy: -51.228027
where:
bonds (distance) C4'-P energy: -8.156
bonds (distance) P-C4' energy: -10.591
flat angles C4'-P-C4' energy: -14.043
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -9.351
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: 8, replica: 8
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -83.411637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411637 (E_RNA)
where:
Base-Base interactions energy: -33.232
where: short stacking energy: -33.232
Base-Backbone interact. energy: -0.194
local terms energy: -49.985427
where:
bonds (distance) C4'-P energy: -9.184
bonds (distance) P-C4' energy: -10.369
flat angles C4'-P-C4' energy: -11.682
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -6.064
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: 9
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -81.227818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.227818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.227818 (E_RNA)
where:
Base-Base interactions energy: -38.605
where: short stacking energy: -24.339
Base-Backbone interact. energy: -0.134
local terms energy: -42.488036
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -1.961
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -74.982622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.982622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.982622 (E_RNA)
where:
Base-Base interactions energy: -29.034
where: short stacking energy: -16.658
Base-Backbone interact. energy: -0.224
local terms energy: -45.724836
where:
bonds (distance) C4'-P energy: -11.829
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -13.868
flat angles P-C4'-P energy: -7.318
tors. eta vs tors. theta energy: 3.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -231.463181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.463181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.463181 (E_RNA)
where:
Base-Base interactions energy: -152.696
where: short stacking energy: -66.028
Base-Backbone interact. energy: -0.100
local terms energy: -78.666851
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -15.061
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -21.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -205.430164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.430164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.430164 (E_RNA)
where:
Base-Base interactions energy: -132.070
where: short stacking energy: -69.959
Base-Backbone interact. energy: -0.338
local terms energy: -73.023038
where:
bonds (distance) C4'-P energy: -13.110
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -200.069163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.069163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.069163 (E_RNA)
where:
Base-Base interactions energy: -137.106
where: short stacking energy: -58.319
Base-Backbone interact. energy: -0.118
local terms energy: -62.845050
where:
bonds (distance) C4'-P energy: -11.324
bonds (distance) P-C4' energy: -15.666
flat angles C4'-P-C4' energy: -10.811
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -14.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -187.270483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.270483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.270483 (E_RNA)
where:
Base-Base interactions energy: -112.684
where: short stacking energy: -56.065
Base-Backbone interact. energy: -0.231
local terms energy: -74.354961
where:
bonds (distance) C4'-P energy: -17.042
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -12.368
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -213.132853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.132853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.132853 (E_RNA)
where:
Base-Base interactions energy: -142.710
where: short stacking energy: -65.889
Base-Backbone interact. energy: -0.001
local terms energy: -70.421156
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -11.005
flat angles P-C4'-P energy: -5.144
tors. eta vs tors. theta energy: -23.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -218.333923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.333923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.333923 (E_RNA)
where:
Base-Base interactions energy: -142.590
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.043
local terms energy: -75.701247
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -19.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -102.912396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.912396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.912396 (E_RNA)
where:
Base-Base interactions energy: -51.860
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.041
local terms energy: -51.010965
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -10.627
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -3.406
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: 9
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -82.757840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.757840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.757840 (E_RNA)
where:
Base-Base interactions energy: -28.039
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.124
local terms energy: -54.595094
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.673
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -77.599839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.599839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.599839 (E_RNA)
where:
Base-Base interactions energy: -33.860
where: short stacking energy: -26.357
Base-Backbone interact. energy: -0.326
local terms energy: -43.414271
where:
bonds (distance) C4'-P energy: -12.239
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -83.914357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.914357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.914357 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -32.441
Base-Backbone interact. energy: -0.100
local terms energy: -51.372982
where:
bonds (distance) C4'-P energy: -13.297
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -4.411
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -229.478271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.478271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.478271 (E_RNA)
where:
Base-Base interactions energy: -151.500
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.015
local terms energy: -77.962875
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -20.800
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: 346
Temperature: 0.950000
Total energy: -197.782365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.782365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.782365 (E_RNA)
where:
Base-Base interactions energy: -130.332
where: short stacking energy: -63.303
Base-Backbone interact. energy: 1.222
local terms energy: -68.671595
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.366
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -17.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -201.124184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.124184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.124184 (E_RNA)
where:
Base-Base interactions energy: -134.616
where: short stacking energy: -50.060
Base-Backbone interact. energy: -0.329
local terms energy: -66.179492
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -10.240
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: 4, replica: 6
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -183.320169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.320169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.320169 (E_RNA)
where:
Base-Base interactions energy: -113.461
where: short stacking energy: -48.320
Base-Backbone interact. energy: 0.082
local terms energy: -69.941207
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -12.500
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -195.967579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967579 (E_RNA)
where:
Base-Base interactions energy: -128.043
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.085
local terms energy: -67.839759
where:
bonds (distance) C4'-P energy: -9.984
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -18.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -216.223105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.223105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.223105 (E_RNA)
where:
Base-Base interactions energy: -147.298
where: short stacking energy: -71.034
Base-Backbone interact. energy: -0.579
local terms energy: -68.345796
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -12.134
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -7.106
tors. eta vs tors. theta energy: -19.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -88.370374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.370374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.370374 (E_RNA)
where:
Base-Base interactions energy: -41.431
where: short stacking energy: -29.866
Base-Backbone interact. energy: 0.612
local terms energy: -47.551990
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -14.325
flat angles C4'-P-C4' energy: -12.338
flat angles P-C4'-P energy: -8.391
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: 8, replica: 3
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -98.125472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.125472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.125472 (E_RNA)
where:
Base-Base interactions energy: -52.611
where: short stacking energy: -41.550
Base-Backbone interact. energy: -0.364
local terms energy: -45.150249
where:
bonds (distance) C4'-P energy: -5.894
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -5.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -86.010693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.010693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.010693 (E_RNA)
where:
Base-Base interactions energy: -30.315
where: short stacking energy: -27.803
Base-Backbone interact. energy: -0.355
local terms energy: -55.340600
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -13.266
flat angles P-C4'-P energy: -4.168
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -79.964579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.964579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.964579 (E_RNA)
where:
Base-Base interactions energy: -30.611
where: short stacking energy: -30.611
Base-Backbone interact. energy: -0.185
local terms energy: -49.168798
where:
bonds (distance) C4'-P energy: -7.536
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -15.135
flat angles P-C4'-P energy: -4.421
tors. eta vs tors. theta energy: -3.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -231.872032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.872032 (E_RNA)
where:
Base-Base interactions energy: -154.984
where: short stacking energy: -78.209
Base-Backbone interact. energy: -0.028
local terms energy: -76.859339
where:
bonds (distance) C4'-P energy: -8.903
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -21.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -203.294412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.294412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.294412 (E_RNA)
where:
Base-Base interactions energy: -137.949
where: short stacking energy: -54.067
Base-Backbone interact. energy: -0.839
local terms energy: -64.505663
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -15.490
flat angles P-C4'-P energy: -5.925
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: 3, replica: 4
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -193.033066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.033066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.033066 (E_RNA)
where:
Base-Base interactions energy: -123.044
where: short stacking energy: -61.566
Base-Backbone interact. energy: -0.005
local terms energy: -69.984337
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -15.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -202.889173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.889173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.889173 (E_RNA)
where:
Base-Base interactions energy: -129.410
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.149
local terms energy: -73.330701
where:
bonds (distance) C4'-P energy: -17.816
bonds (distance) P-C4' energy: -12.200
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -18.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -189.897321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.897321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.897321 (E_RNA)
where:
Base-Base interactions energy: -129.406
where: short stacking energy: -54.452
Base-Backbone interact. energy: -0.145
local terms energy: -60.346628
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.846
tors. eta vs tors. theta energy: -8.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -202.672158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.672158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.672158 (E_RNA)
where:
Base-Base interactions energy: -132.205
where: short stacking energy: -56.209
Base-Backbone interact. energy: -0.086
local terms energy: -70.380654
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -14.115
flat angles P-C4'-P energy: -10.028
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: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -88.444869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.444869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.444869 (E_RNA)
where:
Base-Base interactions energy: -33.619
where: short stacking energy: -33.619
Base-Backbone interact. energy: -0.020
local terms energy: -54.805759
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -4.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -90.580352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.580352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.580352 (E_RNA)
where:
Base-Base interactions energy: -37.915
where: short stacking energy: -26.799
Base-Backbone interact. energy: -0.713
local terms energy: -51.951886
where:
bonds (distance) C4'-P energy: -11.060
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -13.710
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: 9, replica: 3
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -89.285286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.285286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.285286 (E_RNA)
where:
Base-Base interactions energy: -40.495
where: short stacking energy: -21.139
Base-Backbone interact. energy: -0.379
local terms energy: -48.412101
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -8.119
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: 8
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -68.913782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.913782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.913782 (E_RNA)
where:
Base-Base interactions energy: -18.523
where: short stacking energy: -15.681
Base-Backbone interact. energy: -0.143
local terms energy: -50.247414
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -14.603
flat angles C4'-P-C4' energy: -11.194
flat angles P-C4'-P energy: -8.790
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: 348
Temperature: 0.900000
Total energy: -205.152706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.152706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.152706 (E_RNA)
where:
Base-Base interactions energy: -131.780
where: short stacking energy: -69.152
Base-Backbone interact. energy: -0.102
local terms energy: -73.271536
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.952
flat angles P-C4'-P energy: -9.113
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: 2, replica: 2
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -220.674100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.674100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.674100 (E_RNA)
where:
Base-Base interactions energy: -153.174
where: short stacking energy: -72.500
Base-Backbone interact. energy: -0.331
local terms energy: -67.168606
where:
bonds (distance) C4'-P energy: -10.802
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -17.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -223.362056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.362056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362056 (E_RNA)
where:
Base-Base interactions energy: -150.484
where: short stacking energy: -72.665
Base-Backbone interact. energy: -0.006
local terms energy: -72.872924
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -9.786
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: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -181.202841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.202841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.202841 (E_RNA)
where:
Base-Base interactions energy: -118.672
where: short stacking energy: -56.851
Base-Backbone interact. energy: -0.114
local terms energy: -62.417351
where:
bonds (distance) C4'-P energy: -11.585
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -3.610
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: 5, replica: 7
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -209.031521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.031521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.031521 (E_RNA)
where:
Base-Base interactions energy: -129.456
where: short stacking energy: -61.284
Base-Backbone interact. energy: -0.126
local terms energy: -79.449885
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -19.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -187.900345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.900345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.900345 (E_RNA)
where:
Base-Base interactions energy: -125.440
where: short stacking energy: -60.222
Base-Backbone interact. energy: -0.133
local terms energy: -62.326663
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -10.500
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: 7, replica: 5
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -96.767680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.767680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.767680 (E_RNA)
where:
Base-Base interactions energy: -33.920
where: short stacking energy: -33.920
Base-Backbone interact. energy: -0.058
local terms energy: -62.789730
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -9.726
tors. eta vs tors. theta energy: -9.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -92.909186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.909186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.909186 (E_RNA)
where:
Base-Base interactions energy: -29.146
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.016
local terms energy: -63.746482
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -13.522
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: 9, replica: 8
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -79.559675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.559675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.559675 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -29.075
Base-Backbone interact. energy: -0.047
local terms energy: -48.906453
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -7.807
flat angles P-C4'-P energy: -11.245
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: 10, replica: 3
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -82.110593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.110593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.110593 (E_RNA)
where:
Base-Base interactions energy: -26.971
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.109
local terms energy: -55.030402
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -10.737
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -9.044
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: 1, replica: 1
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -211.067183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.067183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.067183 (E_RNA)
where:
Base-Base interactions energy: -134.858
where: short stacking energy: -79.349
Base-Backbone interact. energy: -0.042
local terms energy: -76.166767
where:
bonds (distance) C4'-P energy: -14.185
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -15.462
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -20.120
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: 2
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -223.296871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.296871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.296871 (E_RNA)
where:
Base-Base interactions energy: -147.040
where: short stacking energy: -74.481
Base-Backbone interact. energy: -0.034
local terms energy: -76.223572
where:
bonds (distance) C4'-P energy: -11.187
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -19.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -217.228695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.228695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.228695 (E_RNA)
where:
Base-Base interactions energy: -138.377
where: short stacking energy: -62.315
Base-Backbone interact. energy: -0.580
local terms energy: -78.271643
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -11.211
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: 4, replica: 7
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -213.360447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.360447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.360447 (E_RNA)
where:
Base-Base interactions energy: -138.380
where: short stacking energy: -67.145
Base-Backbone interact. energy: -0.013
local terms energy: -74.967093
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -186.474283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.474283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.474283 (E_RNA)
where:
Base-Base interactions energy: -120.153
where: short stacking energy: -57.398
Base-Backbone interact. energy: -0.099
local terms energy: -66.222651
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -4.928
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: 6, replica: 6
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -182.679579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.679579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.679579 (E_RNA)
where:
Base-Base interactions energy: -124.396
where: short stacking energy: -53.069
Base-Backbone interact. energy: -0.029
local terms energy: -58.254984
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -10.658
flat angles C4'-P-C4' energy: -8.502
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -13.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -93.364370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.364370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.364370 (E_RNA)
where:
Base-Base interactions energy: -39.929
where: short stacking energy: -39.929
Base-Backbone interact. energy: -0.097
local terms energy: -53.337721
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -8.528
tors. eta vs tors. theta energy: -6.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.713252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.713252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.713252 (E_RNA)
where:
Base-Base interactions energy: -41.098
where: short stacking energy: -38.075
Base-Backbone interact. energy: -0.305
local terms energy: -50.310553
where:
bonds (distance) C4'-P energy: -7.353
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -76.984398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.984398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.984398 (E_RNA)
where:
Base-Base interactions energy: -25.277
where: short stacking energy: -25.277
Base-Backbone interact. energy: -0.209
local terms energy: -51.498453
where:
bonds (distance) C4'-P energy: -13.183
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -11.317
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -4.131
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: 10, replica: 3
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -79.767434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.767434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.767434 (E_RNA)
where:
Base-Base interactions energy: -32.704
where: short stacking energy: -29.563
Base-Backbone interact. energy: -0.166
local terms energy: -46.896549
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -11.360
flat angles C4'-P-C4' energy: -9.980
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -3.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -237.019953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.019953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.019953 (E_RNA)
where:
Base-Base interactions energy: -160.340
where: short stacking energy: -71.922
Base-Backbone interact. energy: -0.652
local terms energy: -76.027537
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -9.801
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -12.414
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: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -201.802736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.802736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.802736 (E_RNA)
where:
Base-Base interactions energy: -128.884
where: short stacking energy: -75.700
Base-Backbone interact. energy: 0.517
local terms energy: -73.436433
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -14.838
flat angles C4'-P-C4' energy: -14.772
flat angles P-C4'-P energy: -9.700
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: 3, replica: 10
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -224.995681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.995681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.995681 (E_RNA)
where:
Base-Base interactions energy: -145.955
where: short stacking energy: -68.393
Base-Backbone interact. energy: -0.032
local terms energy: -79.008495
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -13.478
tors. eta vs tors. theta energy: -21.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -212.082969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.082969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.082969 (E_RNA)
where:
Base-Base interactions energy: -142.138
where: short stacking energy: -63.160
Base-Backbone interact. energy: -0.605
local terms energy: -69.339119
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -12.750
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -19.186
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: 350
Temperature: 1.100000
Total energy: -187.898661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.898661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.898661 (E_RNA)
where:
Base-Base interactions energy: -124.590
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.676
local terms energy: -62.632425
where:
bonds (distance) C4'-P energy: -11.031
bonds (distance) P-C4' energy: -8.766
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -173.532114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.532114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.532114 (E_RNA)
where:
Base-Base interactions energy: -115.678
where: short stacking energy: -55.612
Base-Backbone interact. energy: -0.026
local terms energy: -57.828320
where:
bonds (distance) C4'-P energy: -11.105
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -11.109
flat angles P-C4'-P energy: -9.482
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: 7, replica: 8
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -93.043019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.043019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.043019 (E_RNA)
where:
Base-Base interactions energy: -35.576
where: short stacking energy: -29.193
Base-Backbone interact. energy: -0.181
local terms energy: -57.286498
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -16.230
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.269
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: 8, replica: 5
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -87.777169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777169 (E_RNA)
where:
Base-Base interactions energy: -35.299
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.150
local terms energy: -52.328344
where:
bonds (distance) C4'-P energy: -8.919
bonds (distance) P-C4' energy: -15.285
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -3.637
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: 3
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -78.421881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.421881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.421881 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -9.357
Base-Backbone interact. energy: -0.895
local terms energy: -46.681920
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: 3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -81.099605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.099605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.099605 (E_RNA)
where:
Base-Base interactions energy: -27.491
where: short stacking energy: -27.491
Base-Backbone interact. energy: -0.604
local terms energy: -53.004524
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -6.681
tors. eta vs tors. theta energy: -7.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -233.388152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.388152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.388152 (E_RNA)
where:
Base-Base interactions energy: -152.631
where: short stacking energy: -78.139
Base-Backbone interact. energy: -0.002
local terms energy: -80.755138
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -229.621968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.621968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.621968 (E_RNA)
where:
Base-Base interactions energy: -152.750
where: short stacking energy: -71.582
Base-Backbone interact. energy: -0.505
local terms energy: -76.366806
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -11.785
tors. eta vs tors. theta energy: -19.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -203.629822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.629822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.629822 (E_RNA)
where:
Base-Base interactions energy: -131.512
where: short stacking energy: -66.184
Base-Backbone interact. energy: -0.112
local terms energy: -72.005611
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -14.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -209.433856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.433856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.433856 (E_RNA)
where:
Base-Base interactions energy: -137.286
where: short stacking energy: -65.975
Base-Backbone interact. energy: -0.026
local terms energy: -72.122055
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -15.627
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -15.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -178.894139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.894139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.894139 (E_RNA)
where:
Base-Base interactions energy: -115.263
where: short stacking energy: -60.126
Base-Backbone interact. energy: -0.032
local terms energy: -63.599189
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -7.421
flat angles P-C4'-P energy: -9.342
tors. eta vs tors. theta energy: -14.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -183.613290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.613290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.613290 (E_RNA)
where:
Base-Base interactions energy: -116.399
where: short stacking energy: -50.247
Base-Backbone interact. energy: -0.096
local terms energy: -67.118611
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -14.432
flat angles C4'-P-C4' energy: -9.615
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -17.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -107.228618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.228618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.228618 (E_RNA)
where:
Base-Base interactions energy: -55.063
where: short stacking energy: -41.003
Base-Backbone interact. energy: -0.141
local terms energy: -52.024784
where:
bonds (distance) C4'-P energy: -11.901
bonds (distance) P-C4' energy: -11.075
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -9.090
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -92.239209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.239209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.239209 (E_RNA)
where:
Base-Base interactions energy: -33.394
where: short stacking energy: -33.394
Base-Backbone interact. energy: 0.103
local terms energy: -58.948158
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -10.720
tors. eta vs tors. theta energy: -8.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -127.252317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.252317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.252317 (E_RNA)
where:
Base-Base interactions energy: -66.556
where: short stacking energy: -40.662
Base-Backbone interact. energy: -0.091
local terms energy: -60.605487
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -8.415
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -11.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -96.215924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.215924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.215924 (E_RNA)
where:
Base-Base interactions energy: -40.388
where: short stacking energy: -28.105
Base-Backbone interact. energy: -0.587
local terms energy: -55.240667
where:
bonds (distance) C4'-P energy: -15.828
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -10.634
tors. eta vs tors. theta energy: -2.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -221.169716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.169716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.169716 (E_RNA)
where:
Base-Base interactions energy: -142.232
where: short stacking energy: -66.029
Base-Backbone interact. energy: -0.001
local terms energy: -78.936795
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -14.631
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -20.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -229.345353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.345353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.345353 (E_RNA)
where:
Base-Base interactions energy: -153.333
where: short stacking energy: -78.904
Base-Backbone interact. energy: -0.011
local terms energy: -76.002152
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.064
flat angles P-C4'-P energy: -7.754
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: 3, replica: 7
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -220.499030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.499030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.499030 (E_RNA)
where:
Base-Base interactions energy: -146.931
where: short stacking energy: -71.623
Base-Backbone interact. energy: -0.665
local terms energy: -72.902630
where:
bonds (distance) C4'-P energy: -14.049
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -22.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -197.162444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.162444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.162444 (E_RNA)
where:
Base-Base interactions energy: -124.972
where: short stacking energy: -65.344
Base-Backbone interact. energy: -0.009
local terms energy: -72.181425
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -12.893
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -18.848
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: 4
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -186.672572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.672572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.672572 (E_RNA)
where:
Base-Base interactions energy: -126.983
where: short stacking energy: -60.630
Base-Backbone interact. energy: -0.205
local terms energy: -59.484688
where:
bonds (distance) C4'-P energy: -10.811
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -9.742
flat angles P-C4'-P energy: -6.872
tors. eta vs tors. theta energy: -14.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -178.891704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.891704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.891704 (E_RNA)
where:
Base-Base interactions energy: -109.928
where: short stacking energy: -46.381
Base-Backbone interact. energy: -0.809
local terms energy: -68.154623
where:
bonds (distance) C4'-P energy: -14.470
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -8.933
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -102.804769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.804769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.804769 (E_RNA)
where:
Base-Base interactions energy: -41.243
where: short stacking energy: -40.408
Base-Backbone interact. energy: -0.134
local terms energy: -61.428431
where:
bonds (distance) C4'-P energy: -12.045
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -90.285850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.285850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.285850 (E_RNA)
where:
Base-Base interactions energy: -37.216
where: short stacking energy: -37.216
Base-Backbone interact. energy: 0.118
local terms energy: -53.188081
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -9.199
flat angles P-C4'-P energy: -2.650
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -83.031709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.031709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.031709 (E_RNA)
where:
Base-Base interactions energy: -29.523
where: short stacking energy: -13.549
Base-Backbone interact. energy: -0.431
local terms energy: -53.077590
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -12.892
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: 2.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -82.483170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.483170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.483170 (E_RNA)
where:
Base-Base interactions energy: -45.222
where: short stacking energy: -30.586
Base-Backbone interact. energy: -0.421
local terms energy: -36.840201
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -10.529
flat angles P-C4'-P energy: -1.325
tors. eta vs tors. theta energy: -2.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -229.996403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.996403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.996403 (E_RNA)
where:
Base-Base interactions energy: -152.410
where: short stacking energy: -80.016
Base-Backbone interact. energy: -0.006
local terms energy: -77.580781
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -9.305
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: 2, replica: 7
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -223.862056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.862056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.862056 (E_RNA)
where:
Base-Base interactions energy: -142.673
where: short stacking energy: -69.334
Base-Backbone interact. energy: -0.006
local terms energy: -81.183323
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.680
tors. eta vs tors. theta energy: -21.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -215.422583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.422583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.422583 (E_RNA)
where:
Base-Base interactions energy: -142.637
where: short stacking energy: -65.446
Base-Backbone interact. energy: -0.001
local terms energy: -72.785298
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -19.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -198.367395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.367395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.367395 (E_RNA)
where:
Base-Base interactions energy: -124.147
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.000
local terms energy: -74.220427
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -190.874042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.874042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.874042 (E_RNA)
where:
Base-Base interactions energy: -132.451
where: short stacking energy: -51.291
Base-Backbone interact. energy: -0.009
local terms energy: -58.414111
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -11.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -175.579057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.579057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.579057 (E_RNA)
where:
Base-Base interactions energy: -111.430
where: short stacking energy: -50.420
Base-Backbone interact. energy: -0.062
local terms energy: -64.086960
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -16.224
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -100.317018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.317018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.317018 (E_RNA)
where:
Base-Base interactions energy: -54.014
where: short stacking energy: -34.717
Base-Backbone interact. energy: -0.516
local terms energy: -45.786457
where:
bonds (distance) C4'-P energy: -10.358
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -12.682
flat angles P-C4'-P energy: -5.444
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: 8, replica: 9
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -77.499127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.499127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.499127 (E_RNA)
where:
Base-Base interactions energy: -28.530
where: short stacking energy: -28.530
Base-Backbone interact. energy: -0.107
local terms energy: -48.862751
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -4.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -79.307676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.307676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.307676 (E_RNA)
where:
Base-Base interactions energy: -23.693
where: short stacking energy: -22.821
Base-Backbone interact. energy: -0.272
local terms energy: -55.342437
where:
bonds (distance) C4'-P energy: -15.437
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: 1.049
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: 5
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -82.836142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.836142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.836142 (E_RNA)
where:
Base-Base interactions energy: -34.397
where: short stacking energy: -23.200
Base-Backbone interact. energy: 0.955
local terms energy: -49.394325
where:
bonds (distance) C4'-P energy: -13.294
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -5.305
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: 7
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -229.448461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.448461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.448461 (E_RNA)
where:
Base-Base interactions energy: -146.002
where: short stacking energy: -70.889
Base-Backbone interact. energy: -0.000
local terms energy: -83.445969
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -223.616647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.616647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.616647 (E_RNA)
where:
Base-Base interactions energy: -143.808
where: short stacking energy: -69.705
Base-Backbone interact. energy: -0.126
local terms energy: -79.682479
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -17.249
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -8.746
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: 1
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -199.346098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.346098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.346098 (E_RNA)
where:
Base-Base interactions energy: -128.370
where: short stacking energy: -54.597
Base-Backbone interact. energy: -0.012
local terms energy: -70.964026
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -14.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -226.883194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.883194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.883194 (E_RNA)
where:
Base-Base interactions energy: -151.410
where: short stacking energy: -75.312
Base-Backbone interact. energy: 0.498
local terms energy: -75.970999
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.038
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: 5, replica: 4
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -186.539698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.539698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.539698 (E_RNA)
where:
Base-Base interactions energy: -116.080
where: short stacking energy: -58.567
Base-Backbone interact. energy: -0.047
local terms energy: -70.412506
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.158
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -17.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -182.467593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.467593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.467593 (E_RNA)
where:
Base-Base interactions energy: -114.833
where: short stacking energy: -57.535
Base-Backbone interact. energy: -0.001
local terms energy: -67.633542
where:
bonds (distance) C4'-P energy: -13.067
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -8.175
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: 3
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -90.037310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.037310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.037310 (E_RNA)
where:
Base-Base interactions energy: -43.616
where: short stacking energy: -41.349
Base-Backbone interact. energy: 5.202
local terms energy: -51.623693
where:
bonds (distance) C4'-P energy: -10.928
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -8.028
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -90.170842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.170842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.170842 (E_RNA)
where:
Base-Base interactions energy: -45.753
where: short stacking energy: -43.527
Base-Backbone interact. energy: -0.228
local terms energy: -44.189650
where:
bonds (distance) C4'-P energy: -9.379
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -3.651
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: 9, replica: 5
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -93.069484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.069484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.069484 (E_RNA)
where:
Base-Base interactions energy: -43.235
where: short stacking energy: -25.416
Base-Backbone interact. energy: -0.477
local terms energy: -49.358226
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -2.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -88.602216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.602216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.602216 (E_RNA)
where:
Base-Base interactions energy: -39.917
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.142
local terms energy: -48.543557
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -6.359
tors. eta vs tors. theta energy: -0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -230.288291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.288291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.288291 (E_RNA)
where:
Base-Base interactions energy: -148.145
where: short stacking energy: -63.662
Base-Backbone interact. energy: -0.001
local terms energy: -82.142574
where:
bonds (distance) C4'-P energy: -16.550
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -21.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -210.695171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.695171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.695171 (E_RNA)
where:
Base-Base interactions energy: -146.519
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.091
local terms energy: -64.084732
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -3.163
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: 3, replica: 10
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -221.538106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.538106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.538106 (E_RNA)
where:
Base-Base interactions energy: -150.948
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.002
local terms energy: -70.588175
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -11.691
flat angles P-C4'-P energy: -10.438
tors. eta vs tors. theta energy: -20.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -217.632937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.632937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.632937 (E_RNA)
where:
Base-Base interactions energy: -144.625
where: short stacking energy: -65.102
Base-Backbone interact. energy: -0.063
local terms energy: -72.944905
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.631
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -180.356774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.356774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.356774 (E_RNA)
where:
Base-Base interactions energy: -112.372
where: short stacking energy: -51.568
Base-Backbone interact. energy: -0.118
local terms energy: -67.866457
where:
bonds (distance) C4'-P energy: -16.881
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -8.661
tors. eta vs tors. theta energy: -11.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -191.668441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.668441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.668441 (E_RNA)
where:
Base-Base interactions energy: -125.951
where: short stacking energy: -55.196
Base-Backbone interact. energy: -0.030
local terms energy: -65.688290
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -14.803
flat angles C4'-P-C4' energy: -16.038
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -11.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -95.775559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.775559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.775559 (E_RNA)
where:
Base-Base interactions energy: -43.901
where: short stacking energy: -40.598
Base-Backbone interact. energy: 1.869
local terms energy: -53.743537
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -10.881
flat angles P-C4'-P energy: -8.284
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: 5
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -93.839417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.839417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.839417 (E_RNA)
where:
Base-Base interactions energy: -42.194
where: short stacking energy: -33.427
Base-Backbone interact. energy: -0.126
local terms energy: -51.518991
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -8.531
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -84.791453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.791453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.791453 (E_RNA)
where:
Base-Base interactions energy: -37.394
where: short stacking energy: -26.689
Base-Backbone interact. energy: -0.131
local terms energy: -47.267347
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -10.395
flat angles C4'-P-C4' energy: -12.198
flat angles P-C4'-P energy: -8.097
tors. eta vs tors. theta energy: -2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -80.115761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.115761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.115761 (E_RNA)
where:
Base-Base interactions energy: -33.100
where: short stacking energy: -32.994
Base-Backbone interact. energy: 5.896
local terms energy: -52.911998
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -7.627
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: 1, replica: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -218.303822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.303822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.303822 (E_RNA)
where:
Base-Base interactions energy: -149.215
where: short stacking energy: -64.763
Base-Backbone interact. energy: -0.039
local terms energy: -69.050457
where:
bonds (distance) C4'-P energy: -18.011
bonds (distance) P-C4' energy: -14.102
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -10.427
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: 2, replica: 7
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -230.018090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.018090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.018090 (E_RNA)
where:
Base-Base interactions energy: -145.375
where: short stacking energy: -75.922
Base-Backbone interact. energy: -0.505
local terms energy: -84.137761
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -22.799
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: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -215.670878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.670878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.670878 (E_RNA)
where:
Base-Base interactions energy: -145.691
where: short stacking energy: -63.625
Base-Backbone interact. energy: -0.076
local terms energy: -69.903925
where:
bonds (distance) C4'-P energy: -12.314
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -11.605
flat angles P-C4'-P energy: -8.386
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -223.155232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.155232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.155232 (E_RNA)
where:
Base-Base interactions energy: -148.441
where: short stacking energy: -72.493
Base-Backbone interact. energy: -0.012
local terms energy: -74.702221
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -12.718
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -23.014
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: 4
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -175.561938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.561938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.561938 (E_RNA)
where:
Base-Base interactions energy: -103.177
where: short stacking energy: -44.241
Base-Backbone interact. energy: -0.157
local terms energy: -72.227728
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -11.786
tors. eta vs tors. theta energy: -13.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -175.124642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.124642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.124642 (E_RNA)
where:
Base-Base interactions energy: -113.106
where: short stacking energy: -58.780
Base-Backbone interact. energy: 0.966
local terms energy: -62.985358
where:
bonds (distance) C4'-P energy: -13.917
bonds (distance) P-C4' energy: -10.494
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -12.415
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: 3
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -101.603881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.603881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.603881 (E_RNA)
where:
Base-Base interactions energy: -44.364
where: short stacking energy: -34.980
Base-Backbone interact. energy: -0.268
local terms energy: -56.972172
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -9.863
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -78.132825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.132825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.132825 (E_RNA)
where:
Base-Base interactions energy: -26.897
where: short stacking energy: -26.897
Base-Backbone interact. energy: 0.667
local terms energy: -51.902840
where:
bonds (distance) C4'-P energy: -9.432
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -90.777417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.777417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.777417 (E_RNA)
where:
Base-Base interactions energy: -42.300
where: short stacking energy: -42.300
Base-Backbone interact. energy: -0.173
local terms energy: -48.303535
where:
bonds (distance) C4'-P energy: -7.676
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -6.653
tors. eta vs tors. theta energy: -9.524
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: 356
Temperature: 1.350000
Total energy: -75.126349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.126349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.126349 (E_RNA)
where:
Base-Base interactions energy: -25.002
where: short stacking energy: -17.289
Base-Backbone interact. energy: 0.395
local terms energy: -50.519002
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: 2.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -213.658341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.658341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.658341 (E_RNA)
where:
Base-Base interactions energy: -142.395
where: short stacking energy: -63.390
Base-Backbone interact. energy: -0.014
local terms energy: -71.249576
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.770
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -18.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -229.200876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.200876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.200876 (E_RNA)
where:
Base-Base interactions energy: -153.655
where: short stacking energy: -73.341
Base-Backbone interact. energy: -0.318
local terms energy: -75.227962
where:
bonds (distance) C4'-P energy: -11.599
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.805
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: 3, replica: 2
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -218.115309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.115309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.115309 (E_RNA)
where:
Base-Base interactions energy: -142.101
where: short stacking energy: -68.987
Base-Backbone interact. energy: -0.002
local terms energy: -76.012282
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -18.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -220.095326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.095326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.095326 (E_RNA)
where:
Base-Base interactions energy: -144.300
where: short stacking energy: -67.048
Base-Backbone interact. energy: -0.011
local terms energy: -75.785078
where:
bonds (distance) C4'-P energy: -13.809
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -17.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -180.098948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.098948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.098948 (E_RNA)
where:
Base-Base interactions energy: -113.995
where: short stacking energy: -56.704
Base-Backbone interact. energy: -0.087
local terms energy: -66.016991
where:
bonds (distance) C4'-P energy: -10.534
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -13.114
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -15.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -187.177574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.177574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.177574 (E_RNA)
where:
Base-Base interactions energy: -124.978
where: short stacking energy: -59.415
Base-Backbone interact. energy: -0.049
local terms energy: -62.149582
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -12.319
flat angles P-C4'-P energy: -7.353
tors. eta vs tors. theta energy: -13.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -112.658479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.658479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.658479 (E_RNA)
where:
Base-Base interactions energy: -58.017
where: short stacking energy: -27.836
Base-Backbone interact. energy: 0.602
local terms energy: -55.243063
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -6.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -96.120031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120031 (E_RNA)
where:
Base-Base interactions energy: -44.859
where: short stacking energy: -35.430
Base-Backbone interact. energy: 0.983
local terms energy: -52.243588
where:
bonds (distance) C4'-P energy: -16.384
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -5.954
tors. eta vs tors. theta energy: -2.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -77.665484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.665484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.665484 (E_RNA)
where:
Base-Base interactions energy: -24.912
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.070
local terms energy: -52.683626
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -3.277
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: 9
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -79.673427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.673427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.673427 (E_RNA)
where:
Base-Base interactions energy: -37.304
where: short stacking energy: -29.725
Base-Backbone interact. energy: -0.257
local terms energy: -42.111962
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -8.885
flat angles C4'-P-C4' energy: -11.658
flat angles P-C4'-P energy: -7.398
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: 1, replica: 7
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -229.737890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.737890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.737890 (E_RNA)
where:
Base-Base interactions energy: -153.204
where: short stacking energy: -74.579
Base-Backbone interact. energy: 2.141
local terms energy: -78.675352
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -10.787
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: 2, replica: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -212.013556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.013556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.013556 (E_RNA)
where:
Base-Base interactions energy: -137.727
where: short stacking energy: -65.614
Base-Backbone interact. energy: -0.026
local terms energy: -74.260706
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -12.824
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -11.217
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: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -221.399011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.399011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.399011 (E_RNA)
where:
Base-Base interactions energy: -140.703
where: short stacking energy: -66.737
Base-Backbone interact. energy: 0.245
local terms energy: -80.941569
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -20.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -213.497401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.497401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.497401 (E_RNA)
where:
Base-Base interactions energy: -144.334
where: short stacking energy: -67.212
Base-Backbone interact. energy: -0.091
local terms energy: -69.072197
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -12.932
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -187.493414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.493414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.493414 (E_RNA)
where:
Base-Base interactions energy: -118.484
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.004
local terms energy: -69.005876
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -14.183
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -17.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -175.597453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.597453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.597453 (E_RNA)
where:
Base-Base interactions energy: -113.718
where: short stacking energy: -48.944
Base-Backbone interact. energy: 0.573
local terms energy: -62.453000
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -12.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -94.308477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.308477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.308477 (E_RNA)
where:
Base-Base interactions energy: -50.015
where: short stacking energy: -16.280
Base-Backbone interact. energy: -0.343
local terms energy: -43.949982
where:
bonds (distance) C4'-P energy: -14.675
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -9.027
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: 3.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -88.695075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.695075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.695075 (E_RNA)
where:
Base-Base interactions energy: -34.583
where: short stacking energy: -25.463
Base-Backbone interact. energy: -0.103
local terms energy: -54.008949
where:
bonds (distance) C4'-P energy: -12.641
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.129
tors. eta vs tors. theta energy: -5.854
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: 5
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -104.473577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.473577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.473577 (E_RNA)
where:
Base-Base interactions energy: -57.946
where: short stacking energy: -18.679
Base-Backbone interact. energy: -0.010
local terms energy: -46.518070
where:
bonds (distance) C4'-P energy: -10.716
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -15.498
flat angles P-C4'-P energy: -6.897
tors. eta vs tors. theta energy: -0.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -77.335088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.335088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.335088 (E_RNA)
where:
Base-Base interactions energy: -25.172
where: short stacking energy: -25.172
Base-Backbone interact. energy: -0.414
local terms energy: -51.748689
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -224.572162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.572162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.572162 (E_RNA)
where:
Base-Base interactions energy: -149.333
where: short stacking energy: -68.069
Base-Backbone interact. energy: -0.212
local terms energy: -75.026795
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -219.131312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.131312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.131312 (E_RNA)
where:
Base-Base interactions energy: -147.817
where: short stacking energy: -72.121
Base-Backbone interact. energy: -0.013
local terms energy: -71.302182
where:
bonds (distance) C4'-P energy: -10.013
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -19.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -205.895422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.895422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.895422 (E_RNA)
where:
Base-Base interactions energy: -138.435
where: short stacking energy: -67.176
Base-Backbone interact. energy: 0.677
local terms energy: -68.137282
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -17.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -222.697933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.697933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.697933 (E_RNA)
where:
Base-Base interactions energy: -147.606
where: short stacking energy: -68.760
Base-Backbone interact. energy: -0.010
local terms energy: -75.081478
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.399
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.039
tors. eta vs tors. theta energy: -20.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -194.389088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.389088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.389088 (E_RNA)
where:
Base-Base interactions energy: -124.484
where: short stacking energy: -60.362
Base-Backbone interact. energy: -0.006
local terms energy: -69.898490
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -13.308
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -17.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -169.859597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.859597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.859597 (E_RNA)
where:
Base-Base interactions energy: -104.761
where: short stacking energy: -44.587
Base-Backbone interact. energy: -1.008
local terms energy: -64.090470
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -14.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -101.042568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.042568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.042568 (E_RNA)
where:
Base-Base interactions energy: -58.736
where: short stacking energy: -24.945
Base-Backbone interact. energy: -0.739
local terms energy: -41.567832
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -12.384
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 3.012
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: 5
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -91.316249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.316249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.316249 (E_RNA)
where:
Base-Base interactions energy: -42.460
where: short stacking energy: -27.988
Base-Backbone interact. energy: -0.502
local terms energy: -48.353983
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -12.943
flat angles C4'-P-C4' energy: -12.753
flat angles P-C4'-P energy: -7.899
tors. eta vs tors. theta energy: -4.138
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: 359
Temperature: 1.300000
Total energy: -91.270014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.270014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.270014 (E_RNA)
where:
Base-Base interactions energy: -35.781
where: short stacking energy: -28.766
Base-Backbone interact. energy: -0.250
local terms energy: -55.238949
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.199
flat angles C4'-P-C4' energy: -13.409
flat angles P-C4'-P energy: -6.898
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: 10, replica: 9
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -90.607052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.607052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.607052 (E_RNA)
where:
Base-Base interactions energy: -39.721
where: short stacking energy: -21.769
Base-Backbone interact. energy: -0.236
local terms energy: -50.649519
where:
bonds (distance) C4'-P energy: -11.387
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -8.273
tors. eta vs tors. theta energy: -3.290
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: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -231.049926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.049926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.049926 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -73.826
Base-Backbone interact. energy: -0.019
local terms energy: -80.565345
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -21.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -223.800442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.800442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.800442 (E_RNA)
where:
Base-Base interactions energy: -146.628
where: short stacking energy: -69.200
Base-Backbone interact. energy: -0.032
local terms energy: -77.140109
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -13.333
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: -22.332
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: 10
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -218.917593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.917593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.917593 (E_RNA)
where:
Base-Base interactions energy: -140.292
where: short stacking energy: -73.071
Base-Backbone interact. energy: -0.009
local terms energy: -78.615833
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -12.177
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -198.985845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.985845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.985845 (E_RNA)
where:
Base-Base interactions energy: -123.131
where: short stacking energy: -62.892
Base-Backbone interact. energy: -0.180
local terms energy: -75.674352
where:
bonds (distance) C4'-P energy: -15.242
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -8.211
tors. eta vs tors. theta energy: -18.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -176.980076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.980076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.980076 (E_RNA)
where:
Base-Base interactions energy: -113.553
where: short stacking energy: -55.994
Base-Backbone interact. energy: -0.024
local terms energy: -63.403188
where:
bonds (distance) C4'-P energy: -10.704
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -8.096
tors. eta vs tors. theta energy: -13.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -162.407828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.407828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.407828 (E_RNA)
where:
Base-Base interactions energy: -100.434
where: short stacking energy: -49.674
Base-Backbone interact. energy: 2.043
local terms energy: -64.016344
where:
bonds (distance) C4'-P energy: -14.309
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -5.656
tors. eta vs tors. theta energy: -15.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -136.773698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.773698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.773698 (E_RNA)
where:
Base-Base interactions energy: -84.381
where: short stacking energy: -49.312
Base-Backbone interact. energy: -0.002
local terms energy: -52.390475
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -10.088
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -2.913
tors. eta vs tors. theta energy: -12.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -94.112791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.112791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.112791 (E_RNA)
where:
Base-Base interactions energy: -44.215
where: short stacking energy: -29.548
Base-Backbone interact. energy: 0.004
local terms energy: -49.902344
where:
bonds (distance) C4'-P energy: -8.705
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -10.036
flat angles P-C4'-P energy: -8.817
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: 9, replica: 8
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -83.252326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.252326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.252326 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -34.212
Base-Backbone interact. energy: -0.029
local terms energy: -49.801349
where:
bonds (distance) C4'-P energy: -12.902
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -6.800
tors. eta vs tors. theta energy: -7.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -69.967336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.967336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.967336 (E_RNA)
where:
Base-Base interactions energy: -24.371
where: short stacking energy: -21.147
Base-Backbone interact. energy: -0.218
local terms energy: -45.377696
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: 2.569
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: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -236.381657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.381657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.381657 (E_RNA)
where:
Base-Base interactions energy: -155.140
where: short stacking energy: -75.398
Base-Backbone interact. energy: -0.587
local terms energy: -80.655096
where:
bonds (distance) C4'-P energy: -15.353
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -13.369
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: 2, replica: 10
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -220.638087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.638087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.638087 (E_RNA)
where:
Base-Base interactions energy: -140.504
where: short stacking energy: -70.421
Base-Backbone interact. energy: -0.410
local terms energy: -79.724211
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -19.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -219.256145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.256145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.256145 (E_RNA)
where:
Base-Base interactions energy: -144.908
where: short stacking energy: -73.076
Base-Backbone interact. energy: -0.019
local terms energy: -74.328727
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -13.645
flat angles P-C4'-P energy: -7.298
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -194.508235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.508235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.508235 (E_RNA)
where:
Base-Base interactions energy: -124.774
where: short stacking energy: -59.561
Base-Backbone interact. energy: -0.432
local terms energy: -69.302378
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.319
flat angles P-C4'-P energy: -6.336
tors. eta vs tors. theta energy: -15.673
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: 6
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -181.190253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.190253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.190253 (E_RNA)
where:
Base-Base interactions energy: -122.479
where: short stacking energy: -43.987
Base-Backbone interact. energy: -0.484
local terms energy: -58.227183
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -5.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -177.239055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.239055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.239055 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -60.039
Base-Backbone interact. energy: 0.699
local terms energy: -59.383751
where:
bonds (distance) C4'-P energy: -10.106
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -13.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -88.782195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.782195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.782195 (E_RNA)
where:
Base-Base interactions energy: -40.508
where: short stacking energy: -29.203
Base-Backbone interact. energy: 0.477
local terms energy: -48.751916
where:
bonds (distance) C4'-P energy: -9.324
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -14.322
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -1.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -82.976152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976152 (E_RNA)
where:
Base-Base interactions energy: -31.905
where: short stacking energy: -31.312
Base-Backbone interact. energy: -0.037
local terms energy: -51.033298
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -11.784
flat angles P-C4'-P energy: -6.513
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: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -84.671798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671798 (E_RNA)
where:
Base-Base interactions energy: -38.140
where: short stacking energy: -38.140
Base-Backbone interact. energy: -0.141
local terms energy: -46.390570
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -10.262
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -7.284
tors. eta vs tors. theta energy: -2.706
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: 9
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -112.283480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.283480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.283480 (E_RNA)
where:
Base-Base interactions energy: -60.375
where: short stacking energy: -30.037
Base-Backbone interact. energy: -0.652
local terms energy: -51.255694
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: 0.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -221.517138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.517138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.517138 (E_RNA)
where:
Base-Base interactions energy: -151.830
where: short stacking energy: -73.191
Base-Backbone interact. energy: -0.257
local terms energy: -69.430896
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -17.387
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: 7
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -223.309649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.309649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.309649 (E_RNA)
where:
Base-Base interactions energy: -148.389
where: short stacking energy: -75.928
Base-Backbone interact. energy: -0.058
local terms energy: -74.863163
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -12.894
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -20.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -212.320602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.320602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.320602 (E_RNA)
where:
Base-Base interactions energy: -139.539
where: short stacking energy: -74.288
Base-Backbone interact. energy: -0.048
local terms energy: -72.733394
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.605
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: 4, replica: 1
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -202.356594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.356594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.356594 (E_RNA)
where:
Base-Base interactions energy: -132.809
where: short stacking energy: -70.984
Base-Backbone interact. energy: -0.502
local terms energy: -69.045119
where:
bonds (distance) C4'-P energy: -10.090
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.413
tors. eta vs tors. theta energy: -22.367
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: 4
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -177.353830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.353830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.353830 (E_RNA)
where:
Base-Base interactions energy: -116.397
where: short stacking energy: -60.721
Base-Backbone interact. energy: 1.638
local terms energy: -62.594670
where:
bonds (distance) C4'-P energy: -11.846
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -7.819
tors. eta vs tors. theta energy: -18.111
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: 6
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -170.639740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.639740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.639740 (E_RNA)
where:
Base-Base interactions energy: -112.075
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.090
local terms energy: -58.474948
where:
bonds (distance) C4'-P energy: -10.819
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -8.476
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -12.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.102399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.102399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.102399 (E_RNA)
where:
Base-Base interactions energy: -46.267
where: short stacking energy: -29.878
Base-Backbone interact. energy: 2.355
local terms energy: -48.190375
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -13.688
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -0.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -108.194725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.194725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.194725 (E_RNA)
where:
Base-Base interactions energy: -47.171
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.226
local terms energy: -60.797207
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -7.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -77.245568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.245568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.245568 (E_RNA)
where:
Base-Base interactions energy: -31.379
where: short stacking energy: -23.070
Base-Backbone interact. energy: -0.269
local terms energy: -45.597862
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -11.841
flat angles C4'-P-C4' energy: -10.376
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -3.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -103.837787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.837787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.837787 (E_RNA)
where:
Base-Base interactions energy: -56.873
where: short stacking energy: -26.832
Base-Backbone interact. energy: -0.178
local terms energy: -46.786620
where:
bonds (distance) C4'-P energy: -16.831
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -5.472
flat angles P-C4'-P energy: -5.650
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: 1, replica: 10
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -222.273926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.273926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.273926 (E_RNA)
where:
Base-Base interactions energy: -154.463
where: short stacking energy: -70.610
Base-Backbone interact. energy: -0.079
local terms energy: -67.732192
where:
bonds (distance) C4'-P energy: -9.401
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -9.108
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -227.619495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.619495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.619495 (E_RNA)
where:
Base-Base interactions energy: -150.941
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.171
local terms energy: -76.506884
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -213.874273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.874273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.874273 (E_RNA)
where:
Base-Base interactions energy: -143.052
where: short stacking energy: -69.460
Base-Backbone interact. energy: -0.064
local terms energy: -70.758855
where:
bonds (distance) C4'-P energy: -11.040
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -8.299
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: 4, replica: 1
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -202.587412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.587412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.587412 (E_RNA)
where:
Base-Base interactions energy: -133.673
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.004
local terms energy: -68.910425
where:
bonds (distance) C4'-P energy: -12.552
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -18.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -187.161316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.161316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.161316 (E_RNA)
where:
Base-Base interactions energy: -127.755
where: short stacking energy: -62.767
Base-Backbone interact. energy: -0.047
local terms energy: -59.359655
where:
bonds (distance) C4'-P energy: -12.782
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -7.191
tors. eta vs tors. theta energy: -13.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -171.831894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.831894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.831894 (E_RNA)
where:
Base-Base interactions energy: -114.994
where: short stacking energy: -56.953
Base-Backbone interact. energy: -0.003
local terms energy: -56.834655
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -9.167
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -6.690
tors. eta vs tors. theta energy: -16.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -106.740142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.740142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.740142 (E_RNA)
where:
Base-Base interactions energy: -59.314
where: short stacking energy: -44.146
Base-Backbone interact. energy: -0.399
local terms energy: -47.026445
where:
bonds (distance) C4'-P energy: -7.181
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -1.630
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -102.971265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.971265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.971265 (E_RNA)
where:
Base-Base interactions energy: -45.226
where: short stacking energy: -45.226
Base-Backbone interact. energy: -0.014
local terms energy: -57.730870
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -10.126
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -9.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -82.880243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.880243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.880243 (E_RNA)
where:
Base-Base interactions energy: -28.423
where: short stacking energy: -28.165
Base-Backbone interact. energy: 0.722
local terms energy: -55.179199
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -94.019436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.019436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.019436 (E_RNA)
where:
Base-Base interactions energy: -41.668
where: short stacking energy: -25.084
Base-Backbone interact. energy: -0.731
local terms energy: -51.620490
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.479
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: 1, replica: 7
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -235.647066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.647066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.647066 (E_RNA)
where:
Base-Base interactions energy: -149.473
where: short stacking energy: -81.058
Base-Backbone interact. energy: -0.003
local terms energy: -86.170806
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -17.102
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -219.600620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.600620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.600620 (E_RNA)
where:
Base-Base interactions energy: -150.630
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.003
local terms energy: -68.966839
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -17.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -205.001295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.001295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.001295 (E_RNA)
where:
Base-Base interactions energy: -132.957
where: short stacking energy: -63.123
Base-Backbone interact. energy: -0.697
local terms energy: -71.347063
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -17.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -209.257418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.257418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.257418 (E_RNA)
where:
Base-Base interactions energy: -129.360
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.087
local terms energy: -79.810380
where:
bonds (distance) C4'-P energy: -15.357
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -19.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -178.838844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.838844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.838844 (E_RNA)
where:
Base-Base interactions energy: -114.334
where: short stacking energy: -45.371
Base-Backbone interact. energy: 1.183
local terms energy: -65.688541
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -11.767
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: 6, replica: 6
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -185.143730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.143730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.143730 (E_RNA)
where:
Base-Base interactions energy: -123.379
where: short stacking energy: -49.250
Base-Backbone interact. energy: -1.631
local terms energy: -60.133791
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -12.625
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -11.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -96.737834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737834 (E_RNA)
where:
Base-Base interactions energy: -42.800
where: short stacking energy: -31.661
Base-Backbone interact. energy: -0.042
local terms energy: -53.895909
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -10.360
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -4.808
tors. eta vs tors. theta energy: -6.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -87.929518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.929518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.929518 (E_RNA)
where:
Base-Base interactions energy: -36.447
where: short stacking energy: -32.759
Base-Backbone interact. energy: -0.197
local terms energy: -51.285304
where:
bonds (distance) C4'-P energy: -9.350
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -0.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -88.748196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.748196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.748196 (E_RNA)
where:
Base-Base interactions energy: -27.869
where: short stacking energy: -24.022
Base-Backbone interact. energy: -0.081
local terms energy: -60.799010
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -9.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -73.917872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.917872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.917872 (E_RNA)
where:
Base-Base interactions energy: -24.899
where: short stacking energy: -16.778
Base-Backbone interact. energy: -1.012
local terms energy: -48.006166
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: 2.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -228.552104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.552104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.552104 (E_RNA)
where:
Base-Base interactions energy: -150.094
where: short stacking energy: -68.709
Base-Backbone interact. energy: -0.206
local terms energy: -78.252016
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -14.192
flat angles P-C4'-P energy: -10.716
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: 2, replica: 10
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -225.010450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.010450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.010450 (E_RNA)
where:
Base-Base interactions energy: -150.466
where: short stacking energy: -76.656
Base-Backbone interact. energy: -0.000
local terms energy: -74.544067
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -13.070
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -19.306
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: 1
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -193.921975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.921975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.921975 (E_RNA)
where:
Base-Base interactions energy: -116.324
where: short stacking energy: -62.989
Base-Backbone interact. energy: -0.011
local terms energy: -77.586993
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -15.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -196.968367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.968367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.968367 (E_RNA)
where:
Base-Base interactions energy: -125.953
where: short stacking energy: -61.354
Base-Backbone interact. energy: -0.309
local terms energy: -70.706068
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -12.135
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -13.115
tors. eta vs tors. theta energy: -13.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -178.749879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.749879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.749879 (E_RNA)
where:
Base-Base interactions energy: -117.894
where: short stacking energy: -60.211
Base-Backbone interact. energy: -0.225
local terms energy: -60.630373
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -13.178
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -12.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -181.809856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.809856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.809856 (E_RNA)
where:
Base-Base interactions energy: -120.743
where: short stacking energy: -52.876
Base-Backbone interact. energy: -0.327
local terms energy: -60.740543
where:
bonds (distance) C4'-P energy: -11.276
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -17.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -90.897613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.897613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.897613 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -37.862
Base-Backbone interact. energy: 0.196
local terms energy: -53.232116
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -6.274
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -6.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -88.015412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.015412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.015412 (E_RNA)
where:
Base-Base interactions energy: -42.888
where: short stacking energy: -25.440
Base-Backbone interact. energy: 0.453
local terms energy: -45.580550
where:
bonds (distance) C4'-P energy: -13.109
bonds (distance) P-C4' energy: -11.033
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: 2.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -99.892811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.892811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.892811 (E_RNA)
where:
Base-Base interactions energy: -54.136
where: short stacking energy: -22.786
Base-Backbone interact. energy: 2.797
local terms energy: -48.553826
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -6.913
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -86.042482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.042482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.042482 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -19.696
Base-Backbone interact. energy: -0.196
local terms energy: -40.714218
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -14.564
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -4.096
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: 10
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -222.454033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.454033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.454033 (E_RNA)
where:
Base-Base interactions energy: -148.112
where: short stacking energy: -63.243
Base-Backbone interact. energy: -0.036
local terms energy: -74.306325
where:
bonds (distance) C4'-P energy: -14.661
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -10.653
tors. eta vs tors. theta energy: -15.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -217.678141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.678141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.678141 (E_RNA)
where:
Base-Base interactions energy: -143.178
where: short stacking energy: -61.490
Base-Backbone interact. energy: -0.198
local terms energy: -74.301784
where:
bonds (distance) C4'-P energy: -15.350
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -18.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -194.553513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.553513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.553513 (E_RNA)
where:
Base-Base interactions energy: -126.355
where: short stacking energy: -67.193
Base-Backbone interact. energy: -0.008
local terms energy: -68.190194
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -192.697901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.697901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.697901 (E_RNA)
where:
Base-Base interactions energy: -124.547
where: short stacking energy: -60.842
Base-Backbone interact. energy: -0.611
local terms energy: -67.539971
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -15.800
flat angles C4'-P-C4' energy: -11.419
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -14.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -190.762329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.762329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.762329 (E_RNA)
where:
Base-Base interactions energy: -125.045
where: short stacking energy: -51.121
Base-Backbone interact. energy: 1.177
local terms energy: -66.894443
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -10.647
tors. eta vs tors. theta energy: -12.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -176.654400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.654400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.654400 (E_RNA)
where:
Base-Base interactions energy: -112.121
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.164
local terms energy: -64.368502
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -14.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -132.977428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.977428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.977428 (E_RNA)
where:
Base-Base interactions energy: -74.310
where: short stacking energy: -40.602
Base-Backbone interact. energy: -0.139
local terms energy: -58.528418
where:
bonds (distance) C4'-P energy: -11.871
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -12.216
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: 8, replica: 8
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -92.392452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.392452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.392452 (E_RNA)
where:
Base-Base interactions energy: -49.280
where: short stacking energy: -29.265
Base-Backbone interact. energy: 0.059
local terms energy: -43.171618
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -7.647
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: 2.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -79.973578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.973578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.973578 (E_RNA)
where:
Base-Base interactions energy: -30.906
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.216
local terms energy: -48.851480
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: 0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -83.853099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.853099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.853099 (E_RNA)
where:
Base-Base interactions energy: -31.601
where: short stacking energy: -16.266
Base-Backbone interact. energy: -0.090
local terms energy: -52.162031
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -15.553
flat angles C4'-P-C4' energy: -10.051
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -0.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -223.073246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.073246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.073246 (E_RNA)
where:
Base-Base interactions energy: -148.868
where: short stacking energy: -78.195
Base-Backbone interact. energy: -0.019
local terms energy: -74.186279
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -8.509
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: 2, replica: 7
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -222.643860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.643860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.643860 (E_RNA)
where:
Base-Base interactions energy: -146.715
where: short stacking energy: -66.598
Base-Backbone interact. energy: -0.001
local terms energy: -75.928277
where:
bonds (distance) C4'-P energy: -10.335
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -21.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -197.403898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.403898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.403898 (E_RNA)
where:
Base-Base interactions energy: -125.711
where: short stacking energy: -66.098
Base-Backbone interact. energy: -0.320
local terms energy: -71.373729
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -7.163
tors. eta vs tors. theta energy: -19.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -199.707491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.707491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.707491 (E_RNA)
where:
Base-Base interactions energy: -131.630
where: short stacking energy: -58.864
Base-Backbone interact. energy: -0.220
local terms energy: -67.856926
where:
bonds (distance) C4'-P energy: -12.202
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -15.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -195.377036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.377036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.377036 (E_RNA)
where:
Base-Base interactions energy: -120.484
where: short stacking energy: -65.450
Base-Backbone interact. energy: -0.057
local terms energy: -74.835695
where:
bonds (distance) C4'-P energy: -13.292
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -11.897
flat angles P-C4'-P energy: -12.126
tors. eta vs tors. theta energy: -21.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -180.869498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.869498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.869498 (E_RNA)
where:
Base-Base interactions energy: -129.864
where: short stacking energy: -47.645
Base-Backbone interact. energy: -0.051
local terms energy: -50.954584
where:
bonds (distance) C4'-P energy: -7.347
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: -14.952
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: 9
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -119.126650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.126650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.126650 (E_RNA)
where:
Base-Base interactions energy: -66.547
where: short stacking energy: -41.560
Base-Backbone interact. energy: -0.646
local terms energy: -51.933584
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -7.548
tors. eta vs tors. theta energy: -4.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -84.627289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.627289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.627289 (E_RNA)
where:
Base-Base interactions energy: -41.760
where: short stacking energy: -25.966
Base-Backbone interact. energy: -0.685
local terms energy: -42.182066
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -5.311
tors. eta vs tors. theta energy: 3.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -87.732883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732883 (E_RNA)
where:
Base-Base interactions energy: -36.138
where: short stacking energy: -29.964
Base-Backbone interact. energy: 0.911
local terms energy: -52.506636
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.110
flat angles C4'-P-C4' energy: -9.986
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -3.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -75.450896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.450896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.450896 (E_RNA)
where:
Base-Base interactions energy: -28.795
where: short stacking energy: -27.266
Base-Backbone interact. energy: -0.111
local terms energy: -46.544112
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -11.246
flat angles P-C4'-P energy: -5.882
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: 7
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -237.878032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.878032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.878032 (E_RNA)
where:
Base-Base interactions energy: -157.392
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.144
local terms energy: -80.342115
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.798
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -13.764
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: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -211.386093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.386093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.386093 (E_RNA)
where:
Base-Base interactions energy: -143.214
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.140
local terms energy: -68.031606
where:
bonds (distance) C4'-P energy: -11.764
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -7.035
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: 3, replica: 1
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -194.010110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.010110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.010110 (E_RNA)
where:
Base-Base interactions energy: -128.030
where: short stacking energy: -68.005
Base-Backbone interact. energy: -0.024
local terms energy: -65.956043
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -15.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -195.230228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.230228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.230228 (E_RNA)
where:
Base-Base interactions energy: -137.809
where: short stacking energy: -53.603
Base-Backbone interact. energy: -0.101
local terms energy: -57.320594
where:
bonds (distance) C4'-P energy: -13.287
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -12.489
flat angles P-C4'-P energy: -2.535
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: 5, replica: 4
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -191.756015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.756015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.756015 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -55.806
Base-Backbone interact. energy: -0.002
local terms energy: -61.869331
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -11.328
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -10.473
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: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -200.283574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.283574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.283574 (E_RNA)
where:
Base-Base interactions energy: -127.273
where: short stacking energy: -65.815
Base-Backbone interact. energy: -0.045
local terms energy: -72.965910
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -123.837640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.837640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.837640 (E_RNA)
where:
Base-Base interactions energy: -74.263
where: short stacking energy: -38.156
Base-Backbone interact. energy: -0.101
local terms energy: -49.473561
where:
bonds (distance) C4'-P energy: -9.014
bonds (distance) P-C4' energy: -8.341
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -8.262
tors. eta vs tors. theta energy: -8.965
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: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -83.225217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.225217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.225217 (E_RNA)
where:
Base-Base interactions energy: -31.059
where: short stacking energy: -31.059
Base-Backbone interact. energy: -0.016
local terms energy: -52.150137
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -0.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -89.210363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.210363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.210363 (E_RNA)
where:
Base-Base interactions energy: -35.925
where: short stacking energy: -18.255
Base-Backbone interact. energy: -0.779
local terms energy: -52.506231
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -11.342
flat angles P-C4'-P energy: -7.296
tors. eta vs tors. theta energy: -5.065
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: 10, replica: 8
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -73.381498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.381498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.381498 (E_RNA)
where:
Base-Base interactions energy: -22.039
where: short stacking energy: -14.396
Base-Backbone interact. energy: -0.411
local terms energy: -50.931623
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.910
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: 7
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -232.092953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.092953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.092953 (E_RNA)
where:
Base-Base interactions energy: -157.981
where: short stacking energy: -74.302
Base-Backbone interact. energy: 0.213
local terms energy: -74.324758
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -20.747
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: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -218.495440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.495440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.495440 (E_RNA)
where:
Base-Base interactions energy: -146.952
where: short stacking energy: -70.890
Base-Backbone interact. energy: -0.150
local terms energy: -71.393573
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -15.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -190.140178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.140178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.140178 (E_RNA)
where:
Base-Base interactions energy: -122.814
where: short stacking energy: -62.247
Base-Backbone interact. energy: -0.776
local terms energy: -66.550092
where:
bonds (distance) C4'-P energy: -12.876
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -16.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -190.189260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.189260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.189260 (E_RNA)
where:
Base-Base interactions energy: -121.962
where: short stacking energy: -64.371
Base-Backbone interact. energy: -0.081
local terms energy: -68.146109
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -14.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -202.218503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.218503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.218503 (E_RNA)
where:
Base-Base interactions energy: -140.856
where: short stacking energy: -55.843
Base-Backbone interact. energy: -0.087
local terms energy: -61.274984
where:
bonds (distance) C4'-P energy: -12.816
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -6.720
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: 6, replica: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -195.580325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.580325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.580325 (E_RNA)
where:
Base-Base interactions energy: -119.247
where: short stacking energy: -62.684
Base-Backbone interact. energy: -0.208
local terms energy: -76.124828
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -15.515
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: 369
Temperature: 1.200000
Total energy: -125.001977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.001977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.001977 (E_RNA)
where:
Base-Base interactions energy: -74.804
where: short stacking energy: -38.924
Base-Backbone interact. energy: 1.079
local terms energy: -51.277669
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -12.816
flat angles C4'-P-C4' energy: -13.953
flat angles P-C4'-P energy: -5.951
tors. eta vs tors. theta energy: -4.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -82.426571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.426571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.426571 (E_RNA)
where:
Base-Base interactions energy: -30.294
where: short stacking energy: -30.294
Base-Backbone interact. energy: -0.226
local terms energy: -51.906205
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: 2.394
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: 5
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -86.549130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.549130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.549130 (E_RNA)
where:
Base-Base interactions energy: -40.340
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.371
local terms energy: -45.837809
where:
bonds (distance) C4'-P energy: -11.175
bonds (distance) P-C4' energy: -12.303
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: 0.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -81.225219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.225219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.225219 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -27.616
Base-Backbone interact. energy: -0.013
local terms energy: -53.595958
where:
bonds (distance) C4'-P energy: -11.131
bonds (distance) P-C4' energy: -9.575
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.672
tors. eta vs tors. theta energy: -7.671
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: 10
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -223.534750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.534750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.534750 (E_RNA)
where:
Base-Base interactions energy: -151.021
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.141
local terms energy: -72.372957
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -13.681
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -17.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -222.384733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.384733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.384733 (E_RNA)
where:
Base-Base interactions energy: -147.740
where: short stacking energy: -73.342
Base-Backbone interact. energy: -0.000
local terms energy: -74.644170
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -18.651
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -17.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -189.885400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.885400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.885400 (E_RNA)
where:
Base-Base interactions energy: -122.860
where: short stacking energy: -62.769
Base-Backbone interact. energy: 0.985
local terms energy: -68.010383
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -13.198
flat angles C4'-P-C4' energy: -16.352
flat angles P-C4'-P energy: -9.625
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: 4, replica: 1
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -190.441921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.441921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.441921 (E_RNA)
where:
Base-Base interactions energy: -126.589
where: short stacking energy: -57.167
Base-Backbone interact. energy: -0.136
local terms energy: -63.717378
where:
bonds (distance) C4'-P energy: -10.340
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -7.983
tors. eta vs tors. theta energy: -15.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -171.695781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.695781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.695781 (E_RNA)
where:
Base-Base interactions energy: -116.411
where: short stacking energy: -60.575
Base-Backbone interact. energy: -0.317
local terms energy: -54.967688
where:
bonds (distance) C4'-P energy: -11.601
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -12.209
flat angles P-C4'-P energy: -4.270
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: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -199.706161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.706161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.706161 (E_RNA)
where:
Base-Base interactions energy: -132.027
where: short stacking energy: -57.638
Base-Backbone interact. energy: -0.674
local terms energy: -67.004484
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -10.856
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -105.282070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.282070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.282070 (E_RNA)
where:
Base-Base interactions energy: -45.239
where: short stacking energy: -44.077
Base-Backbone interact. energy: -0.067
local terms energy: -59.976288
where:
bonds (distance) C4'-P energy: -14.471
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -9.637
flat angles P-C4'-P energy: -9.836
tors. eta vs tors. theta energy: -9.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -91.347354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.347354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.347354 (E_RNA)
where:
Base-Base interactions energy: -44.650
where: short stacking energy: -33.583
Base-Backbone interact. energy: 0.146
local terms energy: -46.843457
where:
bonds (distance) C4'-P energy: -10.671
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -8.655
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: 9, replica: 8
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -77.584406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.584406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.584406 (E_RNA)
where:
Base-Base interactions energy: -19.501
where: short stacking energy: -19.501
Base-Backbone interact. energy: -0.220
local terms energy: -57.863616
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -2.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -84.552677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.552677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.552677 (E_RNA)
where:
Base-Base interactions energy: -37.904
where: short stacking energy: -36.946
Base-Backbone interact. energy: -0.081
local terms energy: -46.567174
where:
bonds (distance) C4'-P energy: -10.550
bonds (distance) P-C4' energy: -12.236
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -7.158
tors. eta vs tors. theta energy: -5.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -226.116335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.116335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.116335 (E_RNA)
where:
Base-Base interactions energy: -151.642
where: short stacking energy: -72.235
Base-Backbone interact. energy: -0.085
local terms energy: -74.389711
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -228.397190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.397190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.397190 (E_RNA)
where:
Base-Base interactions energy: -151.858
where: short stacking energy: -75.355
Base-Backbone interact. energy: -0.240
local terms energy: -76.298762
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -18.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -196.701960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.701960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.701960 (E_RNA)
where:
Base-Base interactions energy: -134.851
where: short stacking energy: -56.670
Base-Backbone interact. energy: -0.042
local terms energy: -61.808450
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -11.996
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -11.013
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: 4, replica: 1
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -188.772359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.772359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.772359 (E_RNA)
where:
Base-Base interactions energy: -127.177
where: short stacking energy: -54.843
Base-Backbone interact. energy: -0.088
local terms energy: -61.507308
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -13.553
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -186.814555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.814555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.814555 (E_RNA)
where:
Base-Base interactions energy: -127.811
where: short stacking energy: -53.734
Base-Backbone interact. energy: -0.732
local terms energy: -58.270942
where:
bonds (distance) C4'-P energy: -7.433
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -9.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -201.594633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.594633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.594633 (E_RNA)
where:
Base-Base interactions energy: -134.705
where: short stacking energy: -59.766
Base-Backbone interact. energy: -0.210
local terms energy: -66.679756
where:
bonds (distance) C4'-P energy: -10.037
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -13.774
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -17.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -87.890493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.890493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.890493 (E_RNA)
where:
Base-Base interactions energy: -35.259
where: short stacking energy: -27.093
Base-Backbone interact. energy: -0.159
local terms energy: -52.471806
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -8.285
flat angles C4'-P-C4' energy: -12.760
flat angles P-C4'-P energy: -8.520
tors. eta vs tors. theta energy: -5.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -89.775725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.775725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.775725 (E_RNA)
where:
Base-Base interactions energy: -35.129
where: short stacking energy: -35.129
Base-Backbone interact. energy: -0.394
local terms energy: -54.252088
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -104.088118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.088118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.088118 (E_RNA)
where:
Base-Base interactions energy: -59.559
where: short stacking energy: -39.717
Base-Backbone interact. energy: -0.862
local terms energy: -43.667926
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -9.383
flat angles C4'-P-C4' energy: -9.194
flat angles P-C4'-P energy: -5.584
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: 10, replica: 5
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -69.832707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.832707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.832707 (E_RNA)
where:
Base-Base interactions energy: -23.869
where: short stacking energy: -23.869
Base-Backbone interact. energy: -0.130
local terms energy: -45.834208
where:
bonds (distance) C4'-P energy: -9.830
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: 2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -235.571217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.571217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.571217 (E_RNA)
where:
Base-Base interactions energy: -154.259
where: short stacking energy: -77.956
Base-Backbone interact. energy: 0.381
local terms energy: -81.692909
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -13.948
tors. eta vs tors. theta energy: -19.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -216.693330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.693330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.693330 (E_RNA)
where:
Base-Base interactions energy: -142.403
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.079
local terms energy: -74.210776
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -15.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -191.902842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.902842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.902842 (E_RNA)
where:
Base-Base interactions energy: -121.314
where: short stacking energy: -62.369
Base-Backbone interact. energy: -0.003
local terms energy: -70.586314
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -12.523
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -17.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -188.885539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.885539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.885539 (E_RNA)
where:
Base-Base interactions energy: -120.332
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.001
local terms energy: -68.552168
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -15.554
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: 2
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -219.404065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.404065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.404065 (E_RNA)
where:
Base-Base interactions energy: -145.451
where: short stacking energy: -85.605
Base-Backbone interact. energy: -0.384
local terms energy: -73.569624
where:
bonds (distance) C4'-P energy: -10.334
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -169.379140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.379140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.379140 (E_RNA)
where:
Base-Base interactions energy: -112.313
where: short stacking energy: -40.045
Base-Backbone interact. energy: 2.539
local terms energy: -59.605301
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -8.716
tors. eta vs tors. theta energy: -7.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -97.182000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.182000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.182000 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -24.959
Base-Backbone interact. energy: 0.579
local terms energy: -51.407125
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -11.003
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -4.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -86.445818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.445818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.445818 (E_RNA)
where:
Base-Base interactions energy: -31.069
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.077
local terms energy: -55.299486
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -4.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -81.505940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.505940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.505940 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -30.589
Base-Backbone interact. energy: -0.221
local terms energy: -50.695567
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -9.806
flat angles P-C4'-P energy: -5.594
tors. eta vs tors. theta energy: -6.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -76.840724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.840724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.840724 (E_RNA)
where:
Base-Base interactions energy: -31.360
where: short stacking energy: -29.746
Base-Backbone interact. energy: -0.448
local terms energy: -45.033353
where:
bonds (distance) C4'-P energy: -5.214
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -1.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -231.624142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.624142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.624142 (E_RNA)
where:
Base-Base interactions energy: -151.637
where: short stacking energy: -73.202
Base-Backbone interact. energy: -0.000
local terms energy: -79.987349
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -20.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -226.082175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.082175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.082175 (E_RNA)
where:
Base-Base interactions energy: -153.244
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.372
local terms energy: -72.466255
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.604
tors. eta vs tors. theta energy: -16.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -197.400030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.400030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.400030 (E_RNA)
where:
Base-Base interactions energy: -126.838
where: short stacking energy: -56.603
Base-Backbone interact. energy: -0.029
local terms energy: -70.532495
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -12.686
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -16.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -198.176983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.176983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.176983 (E_RNA)
where:
Base-Base interactions energy: -125.437
where: short stacking energy: -51.853
Base-Backbone interact. energy: -0.022
local terms energy: -72.718698
where:
bonds (distance) C4'-P energy: -17.237
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -16.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -185.661045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.661045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.661045 (E_RNA)
where:
Base-Base interactions energy: -119.042
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.086
local terms energy: -66.533516
where:
bonds (distance) C4'-P energy: -13.646
bonds (distance) P-C4' energy: -10.693
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -16.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -99.782618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.782618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.782618 (E_RNA)
where:
Base-Base interactions energy: -36.692
where: short stacking energy: -33.301
Base-Backbone interact. energy: -1.263
local terms energy: -61.827267
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -8.050
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: 6
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -182.235019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.235019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.235019 (E_RNA)
where:
Base-Base interactions energy: -117.971
where: short stacking energy: -57.600
Base-Backbone interact. energy: 0.022
local terms energy: -64.286116
where:
bonds (distance) C4'-P energy: -8.175
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -13.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -91.038006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.038006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.038006 (E_RNA)
where:
Base-Base interactions energy: -31.466
where: short stacking energy: -31.393
Base-Backbone interact. energy: -0.599
local terms energy: -58.972809
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.733
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -4.238
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: 3
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -87.760738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.760738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.760738 (E_RNA)
where:
Base-Base interactions energy: -38.612
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.082
local terms energy: -49.067229
where:
bonds (distance) C4'-P energy: -8.672
bonds (distance) P-C4' energy: -12.363
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -8.501
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -77.563939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.563939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.563939 (E_RNA)
where:
Base-Base interactions energy: -29.016
where: short stacking energy: -25.565
Base-Backbone interact. energy: -0.149
local terms energy: -48.399166
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -9.685
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -5.345
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: 10
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -224.026025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.026025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.026025 (E_RNA)
where:
Base-Base interactions energy: -149.029
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.133
local terms energy: -74.864124
where:
bonds (distance) C4'-P energy: -12.607
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -9.969
tors. eta vs tors. theta energy: -19.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -212.543028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.543028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.543028 (E_RNA)
where:
Base-Base interactions energy: -139.191
where: short stacking energy: -74.859
Base-Backbone interact. energy: -0.002
local terms energy: -73.350321
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -12.729
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: 3, replica: 2
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -218.931691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.931691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.931691 (E_RNA)
where:
Base-Base interactions energy: -142.272
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.002
local terms energy: -76.657247
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.590
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.459
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: 374
Temperature: 1.050000
Total energy: -184.140362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.140362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.140362 (E_RNA)
where:
Base-Base interactions energy: -117.528
where: short stacking energy: -57.052
Base-Backbone interact. energy: -0.024
local terms energy: -66.587783
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -12.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -188.641730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.641730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.641730 (E_RNA)
where:
Base-Base interactions energy: -130.703
where: short stacking energy: -56.786
Base-Backbone interact. energy: 1.085
local terms energy: -59.023559
where:
bonds (distance) C4'-P energy: -12.398
bonds (distance) P-C4' energy: -15.654
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -10.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -99.089244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.089244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.089244 (E_RNA)
where:
Base-Base interactions energy: -48.701
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.189
local terms energy: -50.199470
where:
bonds (distance) C4'-P energy: -10.149
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -13.268
flat angles P-C4'-P energy: -10.282
tors. eta vs tors. theta energy: -2.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -179.105226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.105226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.105226 (E_RNA)
where:
Base-Base interactions energy: -113.593
where: short stacking energy: -51.386
Base-Backbone interact. energy: 1.006
local terms energy: -66.518115
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -14.688
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -7.998
tors. eta vs tors. theta energy: -16.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -103.514478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.514478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.514478 (E_RNA)
where:
Base-Base interactions energy: -37.353
where: short stacking energy: -37.207
Base-Backbone interact. energy: -0.253
local terms energy: -65.908134
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -17.245
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -13.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -88.424635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.424635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.424635 (E_RNA)
where:
Base-Base interactions energy: -35.011
where: short stacking energy: -25.086
Base-Backbone interact. energy: -0.186
local terms energy: -53.227649
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -13.641
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -7.910
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: 3
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.571063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.571063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.571063 (E_RNA)
where:
Base-Base interactions energy: -29.389
where: short stacking energy: -29.389
Base-Backbone interact. energy: 0.759
local terms energy: -48.940606
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.911
flat angles C4'-P-C4' energy: -9.957
flat angles P-C4'-P energy: -5.853
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -220.973868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.973868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.973868 (E_RNA)
where:
Base-Base interactions energy: -146.604
where: short stacking energy: -65.810
Base-Backbone interact. energy: -0.620
local terms energy: -73.749525
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -15.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -228.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.769661 (E_RNA)
where:
Base-Base interactions energy: -153.107
where: short stacking energy: -75.704
Base-Backbone interact. energy: -0.079
local terms energy: -75.583712
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -7.502
tors. eta vs tors. theta energy: -19.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -222.813684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.813684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.813684 (E_RNA)
where:
Base-Base interactions energy: -143.328
where: short stacking energy: -71.163
Base-Backbone interact. energy: -0.635
local terms energy: -78.850422
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -11.970
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: 4, replica: 1
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -188.756350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.756350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.756350 (E_RNA)
where:
Base-Base interactions energy: -122.262
where: short stacking energy: -65.072
Base-Backbone interact. energy: -0.364
local terms energy: -66.130605
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -195.297135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297135 (E_RNA)
where:
Base-Base interactions energy: -140.347
where: short stacking energy: -50.911
Base-Backbone interact. energy: -0.112
local terms energy: -54.838071
where:
bonds (distance) C4'-P energy: -13.047
bonds (distance) P-C4' energy: -10.748
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -8.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -178.647673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.647673 (E_RNA)
where:
Base-Base interactions energy: -118.844
where: short stacking energy: -55.447
Base-Backbone interact. energy: -0.052
local terms energy: -59.751763
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -3.509
tors. eta vs tors. theta energy: -11.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -87.054265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.054265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.054265 (E_RNA)
where:
Base-Base interactions energy: -34.912
where: short stacking energy: -30.866
Base-Backbone interact. energy: -0.155
local terms energy: -51.987004
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -11.866
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -3.491
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: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -86.691956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.691956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.691956 (E_RNA)
where:
Base-Base interactions energy: -33.967
where: short stacking energy: -33.967
Base-Backbone interact. energy: -0.028
local terms energy: -52.696179
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -12.159
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -6.935
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: 9, replica: 5
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -76.484954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.484954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.484954 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -24.164
Base-Backbone interact. energy: 0.148
local terms energy: -46.308278
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -10.183
flat angles C4'-P-C4' energy: -10.373
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -7.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -79.201027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.201027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.201027 (E_RNA)
where:
Base-Base interactions energy: -28.575
where: short stacking energy: -19.702
Base-Backbone interact. energy: -0.068
local terms energy: -50.558087
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -10.356
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -6.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -232.412379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.412379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.412379 (E_RNA)
where:
Base-Base interactions energy: -159.061
where: short stacking energy: -75.718
Base-Backbone interact. energy: -0.623
local terms energy: -72.728443
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.231
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -16.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -224.630347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.630347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.630347 (E_RNA)
where:
Base-Base interactions energy: -142.953
where: short stacking energy: -69.140
Base-Backbone interact. energy: -1.075
local terms energy: -80.602338
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -216.151027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.151027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.151027 (E_RNA)
where:
Base-Base interactions energy: -144.701
where: short stacking energy: -65.705
Base-Backbone interact. energy: -0.807
local terms energy: -70.642865
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -10.114
flat angles C4'-P-C4' energy: -18.469
flat angles P-C4'-P energy: -9.629
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: 4, replica: 1
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -200.692867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.692867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692867 (E_RNA)
where:
Base-Base interactions energy: -135.182
where: short stacking energy: -53.605
Base-Backbone interact. energy: -0.529
local terms energy: -64.982013
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -15.582
flat angles P-C4'-P energy: -4.807
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -184.940683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.940683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.940683 (E_RNA)
where:
Base-Base interactions energy: -125.677
where: short stacking energy: -49.434
Base-Backbone interact. energy: -0.114
local terms energy: -59.150126
where:
bonds (distance) C4'-P energy: -11.440
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -8.698
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: 6, replica: 6
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -165.764791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.764791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.764791 (E_RNA)
where:
Base-Base interactions energy: -101.546
where: short stacking energy: -50.217
Base-Backbone interact. energy: -0.022
local terms energy: -64.196999
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -13.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -102.552256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.552256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.552256 (E_RNA)
where:
Base-Base interactions energy: -47.788
where: short stacking energy: -26.465
Base-Backbone interact. energy: -0.123
local terms energy: -54.642087
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -13.142
flat angles P-C4'-P energy: -5.820
tors. eta vs tors. theta energy: -3.243
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: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -90.569597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.569597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.569597 (E_RNA)
where:
Base-Base interactions energy: -36.909
where: short stacking energy: -26.945
Base-Backbone interact. energy: -0.860
local terms energy: -52.801284
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -11.891
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: 4.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -78.801235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.801235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.801235 (E_RNA)
where:
Base-Base interactions energy: -29.827
where: short stacking energy: -19.932
Base-Backbone interact. energy: -0.085
local terms energy: -48.888350
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -6.054
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: 10, replica: 5
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -70.637453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.637453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.637453 (E_RNA)
where:
Base-Base interactions energy: -29.577
where: short stacking energy: -17.043
Base-Backbone interact. energy: -0.347
local terms energy: -40.714375
where:
bonds (distance) C4'-P energy: -7.934
bonds (distance) P-C4' energy: -16.876
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: 5.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -224.302038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.302038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.302038 (E_RNA)
where:
Base-Base interactions energy: -151.809
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.101
local terms energy: -72.392225
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -16.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -220.643021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.643021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.643021 (E_RNA)
where:
Base-Base interactions energy: -146.043
where: short stacking energy: -73.010
Base-Backbone interact. energy: -0.001
local terms energy: -74.599027
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.868
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -20.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -212.480731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.480731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.480731 (E_RNA)
where:
Base-Base interactions energy: -147.298
where: short stacking energy: -65.298
Base-Backbone interact. energy: -0.549
local terms energy: -64.633876
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -196.399542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.399542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.399542 (E_RNA)
where:
Base-Base interactions energy: -134.931
where: short stacking energy: -56.048
Base-Backbone interact. energy: -0.669
local terms energy: -60.799605
where:
bonds (distance) C4'-P energy: -12.339
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -13.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -180.484426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.484426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.484426 (E_RNA)
where:
Base-Base interactions energy: -120.293
where: short stacking energy: -57.606
Base-Backbone interact. energy: 0.062
local terms energy: -60.253308
where:
bonds (distance) C4'-P energy: -7.628
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -13.346
flat angles P-C4'-P energy: -9.195
tors. eta vs tors. theta energy: -11.658
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: 6
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -159.914309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.914309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.914309 (E_RNA)
where:
Base-Base interactions energy: -97.772
where: short stacking energy: -52.074
Base-Backbone interact. energy: 1.108
local terms energy: -63.250117
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -5.583
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -117.479409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.479409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.479409 (E_RNA)
where:
Base-Base interactions energy: -58.324
where: short stacking energy: -46.739
Base-Backbone interact. energy: -0.065
local terms energy: -59.091167
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -13.927
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -9.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -85.406086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.406086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.406086 (E_RNA)
where:
Base-Base interactions energy: -32.948
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.236
local terms energy: -52.222624
where:
bonds (distance) C4'-P energy: -14.682
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -7.242
tors. eta vs tors. theta energy: -2.182
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: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -82.055806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.055806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.055806 (E_RNA)
where:
Base-Base interactions energy: -34.186
where: short stacking energy: -34.186
Base-Backbone interact. energy: -0.054
local terms energy: -47.815877
where:
bonds (distance) C4'-P energy: -9.747
bonds (distance) P-C4' energy: -14.177
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -2.136
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: 5
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -91.657834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.657834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.657834 (E_RNA)
where:
Base-Base interactions energy: -34.969
where: short stacking energy: -34.969
Base-Backbone interact. energy: -0.010
local terms energy: -56.679109
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -8.329
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: -6.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -225.976310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.976310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.976310 (E_RNA)
where:
Base-Base interactions energy: -148.255
where: short stacking energy: -70.220
Base-Backbone interact. energy: 0.371
local terms energy: -78.091695
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -13.233
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: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -217.703118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.703118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.703118 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.093
local terms energy: -73.665339
where:
bonds (distance) C4'-P energy: -14.358
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -14.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -186.427927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.427927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.427927 (E_RNA)
where:
Base-Base interactions energy: -120.953
where: short stacking energy: -48.696
Base-Backbone interact. energy: -0.719
local terms energy: -64.755606
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -10.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -202.082935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.082935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.082935 (E_RNA)
where:
Base-Base interactions energy: -134.868
where: short stacking energy: -65.741
Base-Backbone interact. energy: -0.084
local terms energy: -67.130652
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -9.451
tors. eta vs tors. theta energy: -17.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -191.670492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.670492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.670492 (E_RNA)
where:
Base-Base interactions energy: -119.715
where: short stacking energy: -54.939
Base-Backbone interact. energy: 0.362
local terms energy: -72.317166
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -11.842
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: 6, replica: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -184.416113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.416113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.416113 (E_RNA)
where:
Base-Base interactions energy: -123.790
where: short stacking energy: -52.382
Base-Backbone interact. energy: 0.776
local terms energy: -61.402083
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.718
flat angles P-C4'-P energy: -5.888
tors. eta vs tors. theta energy: -12.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -84.197316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.197316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.197316 (E_RNA)
where:
Base-Base interactions energy: -32.230
where: short stacking energy: -32.230
Base-Backbone interact. energy: 0.456
local terms energy: -52.423544
where:
bonds (distance) C4'-P energy: -9.846
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -97.991126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.991126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.991126 (E_RNA)
where:
Base-Base interactions energy: -41.770
where: short stacking energy: -41.770
Base-Backbone interact. energy: -0.143
local terms energy: -56.078559
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -12.036
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -8.032
tors. eta vs tors. theta energy: -9.653
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: 378
Temperature: 1.300000
Total energy: -87.733989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.733989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.733989 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -22.317
Base-Backbone interact. energy: -0.547
local terms energy: -53.800165
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -71.913081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.913081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.913081 (E_RNA)
where:
Base-Base interactions energy: -22.251
where: short stacking energy: -22.251
Base-Backbone interact. energy: 0.378
local terms energy: -50.039979
where:
bonds (distance) C4'-P energy: -15.680
bonds (distance) P-C4' energy: -10.442
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: 1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -223.411743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.411743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.411743 (E_RNA)
where:
Base-Base interactions energy: -151.033
where: short stacking energy: -68.375
Base-Backbone interact. energy: -0.010
local terms energy: -72.368693
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -10.263
tors. eta vs tors. theta energy: -16.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -214.352530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.352530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.352530 (E_RNA)
where:
Base-Base interactions energy: -141.988
where: short stacking energy: -62.627
Base-Backbone interact. energy: 0.246
local terms energy: -72.610316
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -197.525006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.525006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.525006 (E_RNA)
where:
Base-Base interactions energy: -136.017
where: short stacking energy: -57.366
Base-Backbone interact. energy: -0.407
local terms energy: -61.100870
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -13.711
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -7.430
tors. eta vs tors. theta energy: -10.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -193.456120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.456120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.456120 (E_RNA)
where:
Base-Base interactions energy: -130.558
where: short stacking energy: -48.228
Base-Backbone interact. energy: -0.466
local terms energy: -62.432223
where:
bonds (distance) C4'-P energy: -14.724
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -3.636
tors. eta vs tors. theta energy: -14.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -212.024972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.024972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.024972 (E_RNA)
where:
Base-Base interactions energy: -145.893
where: short stacking energy: -70.846
Base-Backbone interact. energy: -0.009
local terms energy: -66.123725
where:
bonds (distance) C4'-P energy: -14.008
bonds (distance) P-C4' energy: -9.929
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -19.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -179.798480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.798480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.798480 (E_RNA)
where:
Base-Base interactions energy: -118.524
where: short stacking energy: -59.398
Base-Backbone interact. energy: -0.177
local terms energy: -61.098141
where:
bonds (distance) C4'-P energy: -11.652
bonds (distance) P-C4' energy: -14.351
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -4.453
tors. eta vs tors. theta energy: -14.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -91.960034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.960034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.960034 (E_RNA)
where:
Base-Base interactions energy: -43.232
where: short stacking energy: -28.637
Base-Backbone interact. energy: -0.095
local terms energy: -48.633007
where:
bonds (distance) C4'-P energy: -13.758
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -5.494
tors. eta vs tors. theta energy: -3.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -84.087354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.087354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.087354 (E_RNA)
where:
Base-Base interactions energy: -29.274
where: short stacking energy: -20.247
Base-Backbone interact. energy: 0.216
local terms energy: -55.029712
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -8.112
tors. eta vs tors. theta energy: -3.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -94.322371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.322371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.322371 (E_RNA)
where:
Base-Base interactions energy: -41.889
where: short stacking energy: -38.486
Base-Backbone interact. energy: -0.216
local terms energy: -52.217141
where:
bonds (distance) C4'-P energy: -14.298
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -6.168
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -86.475029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.475029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.475029 (E_RNA)
where:
Base-Base interactions energy: -36.701
where: short stacking energy: -32.122
Base-Backbone interact. energy: -0.028
local terms energy: -49.746431
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -12.142
flat angles P-C4'-P energy: -4.583
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: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -229.406579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.406579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.406579 (E_RNA)
where:
Base-Base interactions energy: -151.387
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.009
local terms energy: -78.010593
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -21.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -217.143008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.143008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.143008 (E_RNA)
where:
Base-Base interactions energy: -150.584
where: short stacking energy: -66.224
Base-Backbone interact. energy: -0.051
local terms energy: -66.507953
where:
bonds (distance) C4'-P energy: -9.780
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -195.956373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.956373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.956373 (E_RNA)
where:
Base-Base interactions energy: -128.749
where: short stacking energy: -63.422
Base-Backbone interact. energy: -0.031
local terms energy: -67.175833
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -13.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -182.574976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.574976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.574976 (E_RNA)
where:
Base-Base interactions energy: -122.353
where: short stacking energy: -59.900
Base-Backbone interact. energy: -0.679
local terms energy: -59.542842
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -16.635
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: -9.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -193.545254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.545254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.545254 (E_RNA)
where:
Base-Base interactions energy: -127.636
where: short stacking energy: -56.364
Base-Backbone interact. energy: -1.284
local terms energy: -64.625091
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -14.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -203.521687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.521687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.521687 (E_RNA)
where:
Base-Base interactions energy: -140.525
where: short stacking energy: -65.305
Base-Backbone interact. energy: -0.049
local terms energy: -62.947555
where:
bonds (distance) C4'-P energy: -12.789
bonds (distance) P-C4' energy: -9.844
flat angles C4'-P-C4' energy: -14.432
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -17.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -94.705353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.705353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.705353 (E_RNA)
where:
Base-Base interactions energy: -38.900
where: short stacking energy: -38.900
Base-Backbone interact. energy: -0.490
local terms energy: -55.315371
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -16.098
flat angles C4'-P-C4' energy: -9.434
flat angles P-C4'-P energy: -7.188
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -80.315719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.315719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.315719 (E_RNA)
where:
Base-Base interactions energy: -22.278
where: short stacking energy: -22.278
Base-Backbone interact. energy: -0.019
local terms energy: -58.019035
where:
bonds (distance) C4'-P energy: -15.775
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -12.812
flat angles P-C4'-P energy: -9.547
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: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -80.776786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.776786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.776786 (E_RNA)
where:
Base-Base interactions energy: -28.799
where: short stacking energy: -28.799
Base-Backbone interact. energy: -0.522
local terms energy: -51.455813
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -12.495
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -4.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -75.273817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.273817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.273817 (E_RNA)
where:
Base-Base interactions energy: -30.743
where: short stacking energy: -29.167
Base-Backbone interact. energy: -0.356
local terms energy: -44.174460
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -10.427
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: 0.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -234.848972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.848972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.848972 (E_RNA)
where:
Base-Base interactions energy: -156.910
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.032
local terms energy: -77.906456
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -15.029
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -200.366251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.366251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.366251 (E_RNA)
where:
Base-Base interactions energy: -132.641
where: short stacking energy: -70.844
Base-Backbone interact. energy: 0.124
local terms energy: -67.849036
where:
bonds (distance) C4'-P energy: -11.904
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -214.944103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.944103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.944103 (E_RNA)
where:
Base-Base interactions energy: -142.961
where: short stacking energy: -69.405
Base-Backbone interact. energy: -0.259
local terms energy: -71.724575
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -9.481
tors. eta vs tors. theta energy: -17.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -193.412346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.412346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.412346 (E_RNA)
where:
Base-Base interactions energy: -133.585
where: short stacking energy: -52.784
Base-Backbone interact. energy: 1.502
local terms energy: -61.330147
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -10.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -187.582930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.582930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.582930 (E_RNA)
where:
Base-Base interactions energy: -122.606
where: short stacking energy: -65.701
Base-Backbone interact. energy: -0.057
local terms energy: -64.919910
where:
bonds (distance) C4'-P energy: -8.844
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -15.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -203.199960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.199960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.199960 (E_RNA)
where:
Base-Base interactions energy: -132.534
where: short stacking energy: -57.475
Base-Backbone interact. energy: -0.087
local terms energy: -70.578965
where:
bonds (distance) C4'-P energy: -10.491
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -18.226
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: 381
Temperature: 1.200000
Total energy: -101.062376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.062376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.062376 (E_RNA)
where:
Base-Base interactions energy: -51.328
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.461
local terms energy: -49.273416
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -9.820
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -95.986149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.986149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.986149 (E_RNA)
where:
Base-Base interactions energy: -46.926
where: short stacking energy: -46.926
Base-Backbone interact. energy: -0.686
local terms energy: -48.374189
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -7.694
flat angles P-C4'-P energy: -4.047
tors. eta vs tors. theta energy: -13.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -87.154993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.154993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.154993 (E_RNA)
where:
Base-Base interactions energy: -42.117
where: short stacking energy: -21.946
Base-Backbone interact. energy: -0.158
local terms energy: -44.880254
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -13.644
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -7.853
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -80.815889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.815889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.815889 (E_RNA)
where:
Base-Base interactions energy: -38.895
where: short stacking energy: -17.674
Base-Backbone interact. energy: 0.688
local terms energy: -42.608529
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -8.364
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: 4.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -232.386623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.386623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.386623 (E_RNA)
where:
Base-Base interactions energy: -156.213
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.003
local terms energy: -76.170340
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -17.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -200.158686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.158686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.158686 (E_RNA)
where:
Base-Base interactions energy: -131.019
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.217
local terms energy: -68.922946
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -13.771
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -210.700505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.700505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.700505 (E_RNA)
where:
Base-Base interactions energy: -147.655
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.543
local terms energy: -62.503030
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -8.149
flat angles P-C4'-P energy: -8.127
tors. eta vs tors. theta energy: -17.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -181.466965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.466965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.466965 (E_RNA)
where:
Base-Base interactions energy: -116.777
where: short stacking energy: -57.022
Base-Backbone interact. energy: -0.057
local terms energy: -64.632341
where:
bonds (distance) C4'-P energy: -12.181
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -14.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -180.050051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.050051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.050051 (E_RNA)
where:
Base-Base interactions energy: -123.504
where: short stacking energy: -56.822
Base-Backbone interact. energy: -0.224
local terms energy: -56.321950
where:
bonds (distance) C4'-P energy: -11.556
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -11.580
flat angles P-C4'-P energy: -4.729
tors. eta vs tors. theta energy: -16.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -193.791038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.791038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.791038 (E_RNA)
where:
Base-Base interactions energy: -124.831
where: short stacking energy: -66.663
Base-Backbone interact. energy: -0.650
local terms energy: -68.309335
where:
bonds (distance) C4'-P energy: -12.128
bonds (distance) P-C4' energy: -10.742
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -98.849965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.849965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.849965 (E_RNA)
where:
Base-Base interactions energy: -39.894
where: short stacking energy: -37.145
Base-Backbone interact. energy: -0.103
local terms energy: -58.852640
where:
bonds (distance) C4'-P energy: -7.999
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -10.148
tors. eta vs tors. theta energy: -6.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -90.467097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.467097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.467097 (E_RNA)
where:
Base-Base interactions energy: -39.047
where: short stacking energy: -28.714
Base-Backbone interact. energy: 3.074
local terms energy: -54.494777
where:
bonds (distance) C4'-P energy: -12.249
bonds (distance) P-C4' energy: -13.056
flat angles C4'-P-C4' energy: -15.021
flat angles P-C4'-P energy: -9.372
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: 9, replica: 8
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -87.431581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.431581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.431581 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -30.689
Base-Backbone interact. energy: -0.043
local terms energy: -56.699759
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -11.905
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -2.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -71.191639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.191639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.191639 (E_RNA)
where:
Base-Base interactions energy: -32.176
where: short stacking energy: -31.853
Base-Backbone interact. energy: -0.419
local terms energy: -38.595938
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -0.170
tors. eta vs tors. theta energy: -2.858
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: 1, replica: 2
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -232.678498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.678498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.678498 (E_RNA)
where:
Base-Base interactions energy: -153.970
where: short stacking energy: -70.096
Base-Backbone interact. energy: -0.006
local terms energy: -78.702537
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -19.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -217.055378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.055378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.055378 (E_RNA)
where:
Base-Base interactions energy: -141.780
where: short stacking energy: -65.118
Base-Backbone interact. energy: -0.010
local terms energy: -75.265959
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -9.268
tors. eta vs tors. theta energy: -19.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -201.067336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.067336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.067336 (E_RNA)
where:
Base-Base interactions energy: -127.921
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.141
local terms energy: -73.005453
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -14.798
flat angles C4'-P-C4' energy: -16.318
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -19.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -183.161578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.161578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.161578 (E_RNA)
where:
Base-Base interactions energy: -115.504
where: short stacking energy: -54.681
Base-Backbone interact. energy: -0.137
local terms energy: -67.521106
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -10.483
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -14.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -171.053187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.053187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.053187 (E_RNA)
where:
Base-Base interactions energy: -105.999
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.043
local terms energy: -65.011767
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -11.085
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -12.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -191.806145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.806145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.806145 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -58.672
Base-Backbone interact. energy: -0.006
local terms energy: -69.217067
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -18.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -97.972435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.972435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.972435 (E_RNA)
where:
Base-Base interactions energy: -44.999
where: short stacking energy: -40.366
Base-Backbone interact. energy: -0.146
local terms energy: -52.827021
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -8.000
flat angles C4'-P-C4' energy: -13.893
flat angles P-C4'-P energy: -10.399
tors. eta vs tors. theta energy: -7.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -87.777278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.777278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.777278 (E_RNA)
where:
Base-Base interactions energy: -30.958
where: short stacking energy: -21.275
Base-Backbone interact. energy: 0.198
local terms energy: -57.017548
where:
bonds (distance) C4'-P energy: -14.965
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -16.138
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -74.998017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.998017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.998017 (E_RNA)
where:
Base-Base interactions energy: -21.916
where: short stacking energy: -21.768
Base-Backbone interact. energy: -0.346
local terms energy: -52.736589
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: 0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -70.150888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.150888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.150888 (E_RNA)
where:
Base-Base interactions energy: -28.699
where: short stacking energy: -22.553
Base-Backbone interact. energy: -0.178
local terms energy: -41.273143
where:
bonds (distance) C4'-P energy: -8.312
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -10.013
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: 0.800
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: 2
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -227.833476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.833476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.833476 (E_RNA)
where:
Base-Base interactions energy: -151.320
where: short stacking energy: -65.582
Base-Backbone interact. energy: -0.086
local terms energy: -76.427763
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -13.131
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: 2, replica: 10
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -218.595644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.595644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.595644 (E_RNA)
where:
Base-Base interactions energy: -149.085
where: short stacking energy: -68.812
Base-Backbone interact. energy: -0.108
local terms energy: -69.402769
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.488
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -9.916
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: 3, replica: 1
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -196.432906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.432906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.432906 (E_RNA)
where:
Base-Base interactions energy: -125.414
where: short stacking energy: -61.357
Base-Backbone interact. energy: -0.051
local terms energy: -70.967768
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -12.476
flat angles P-C4'-P energy: -9.051
tors. eta vs tors. theta energy: -13.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -191.483666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.483666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.483666 (E_RNA)
where:
Base-Base interactions energy: -125.704
where: short stacking energy: -57.716
Base-Backbone interact. energy: -0.033
local terms energy: -65.747398
where:
bonds (distance) C4'-P energy: -15.584
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -5.809
tors. eta vs tors. theta energy: -11.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -214.652238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.652238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.652238 (E_RNA)
where:
Base-Base interactions energy: -136.459
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.089
local terms energy: -78.103866
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -12.412
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: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -184.264624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.264624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.264624 (E_RNA)
where:
Base-Base interactions energy: -118.198
where: short stacking energy: -55.770
Base-Backbone interact. energy: -0.059
local terms energy: -66.008143
where:
bonds (distance) C4'-P energy: -15.605
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -137.262395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.262395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.262395 (E_RNA)
where:
Base-Base interactions energy: -78.154
where: short stacking energy: -42.238
Base-Backbone interact. energy: -0.039
local terms energy: -59.069446
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -11.256
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -8.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -88.880943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.880943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.880943 (E_RNA)
where:
Base-Base interactions energy: -29.319
where: short stacking energy: -26.053
Base-Backbone interact. energy: -0.346
local terms energy: -59.215200
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -4.125
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: 3
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -78.812349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.812349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.812349 (E_RNA)
where:
Base-Base interactions energy: -35.788
where: short stacking energy: -35.788
Base-Backbone interact. energy: -0.605
local terms energy: -42.419022
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -9.901
flat angles C4'-P-C4' energy: -10.472
flat angles P-C4'-P energy: -7.531
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: 10, replica: 5
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -73.148758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.148758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.148758 (E_RNA)
where:
Base-Base interactions energy: -31.521
where: short stacking energy: -27.524
Base-Backbone interact. energy: -0.176
local terms energy: -41.452124
where:
bonds (distance) C4'-P energy: -6.243
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -5.402
tors. eta vs tors. theta energy: -1.030
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: 2
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -211.423004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.423004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.423004 (E_RNA)
where:
Base-Base interactions energy: -140.428
where: short stacking energy: -58.163
Base-Backbone interact. energy: -1.196
local terms energy: -69.799106
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.373
tors. eta vs tors. theta energy: -16.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -224.546070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.546070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.546070 (E_RNA)
where:
Base-Base interactions energy: -146.357
where: short stacking energy: -64.863
Base-Backbone interact. energy: -0.458
local terms energy: -77.730848
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.965
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: 3, replica: 1
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -184.643808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.643808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.643808 (E_RNA)
where:
Base-Base interactions energy: -123.600
where: short stacking energy: -45.837
Base-Backbone interact. energy: -2.150
local terms energy: -58.893340
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -14.675
flat angles C4'-P-C4' energy: -8.188
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -7.865
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: 7
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -211.052204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.052204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.052204 (E_RNA)
where:
Base-Base interactions energy: -132.572
where: short stacking energy: -66.239
Base-Backbone interact. energy: -0.343
local terms energy: -78.136609
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -14.547
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -11.840
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: 5, replica: 6
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -192.611990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.611990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.611990 (E_RNA)
where:
Base-Base interactions energy: -123.273
where: short stacking energy: -57.882
Base-Backbone interact. energy: 0.981
local terms energy: -70.320503
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.488
flat angles P-C4'-P energy: -9.479
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: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -180.028153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.028153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.028153 (E_RNA)
where:
Base-Base interactions energy: -113.609
where: short stacking energy: -56.381
Base-Backbone interact. energy: -0.003
local terms energy: -66.415809
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -11.914
flat angles C4'-P-C4' energy: -12.516
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -15.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -114.839815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.839815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.839815 (E_RNA)
where:
Base-Base interactions energy: -74.783
where: short stacking energy: -40.567
Base-Backbone interact. energy: -0.082
local terms energy: -39.975158
where:
bonds (distance) C4'-P energy: -7.914
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -12.728
flat angles P-C4'-P energy: -5.684
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: 8, replica: 3
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -95.655530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.655530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.655530 (E_RNA)
where:
Base-Base interactions energy: -42.621
where: short stacking energy: -38.286
Base-Backbone interact. energy: -0.356
local terms energy: -52.677853
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -8.016
flat angles P-C4'-P energy: -6.550
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: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -81.750674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.750674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.750674 (E_RNA)
where:
Base-Base interactions energy: -36.818
where: short stacking energy: -36.673
Base-Backbone interact. energy: 0.835
local terms energy: -45.767307
where:
bonds (distance) C4'-P energy: -5.551
bonds (distance) P-C4' energy: -13.448
flat angles C4'-P-C4' energy: -10.046
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -8.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -107.622307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.622307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.622307 (E_RNA)
where:
Base-Base interactions energy: -60.115
where: short stacking energy: -24.652
Base-Backbone interact. energy: -1.292
local terms energy: -46.215152
where:
bonds (distance) C4'-P energy: -9.105
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -10.787
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: 0.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -225.390366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.390366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.390366 (E_RNA)
where:
Base-Base interactions energy: -150.540
where: short stacking energy: -67.194
Base-Backbone interact. energy: -0.586
local terms energy: -74.264427
where:
bonds (distance) C4'-P energy: -15.481
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -16.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -215.079487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.079487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.079487 (E_RNA)
where:
Base-Base interactions energy: -135.229
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.021
local terms energy: -79.829254
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -9.266
tors. eta vs tors. theta energy: -20.041
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: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -216.180468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.180468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.180468 (E_RNA)
where:
Base-Base interactions energy: -143.483
where: short stacking energy: -61.128
Base-Backbone interact. energy: -0.748
local terms energy: -71.949631
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -9.743
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -189.322420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.322420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.322420 (E_RNA)
where:
Base-Base interactions energy: -124.446
where: short stacking energy: -57.108
Base-Backbone interact. energy: -0.430
local terms energy: -64.446187
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -12.714
flat angles P-C4'-P energy: -8.378
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: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -176.075883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.075883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.075883 (E_RNA)
where:
Base-Base interactions energy: -111.053
where: short stacking energy: -51.224
Base-Backbone interact. energy: -0.100
local terms energy: -64.922082
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -7.458
flat angles P-C4'-P energy: -13.123
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: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -177.708830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.708830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.708830 (E_RNA)
where:
Base-Base interactions energy: -114.693
where: short stacking energy: -54.860
Base-Backbone interact. energy: -0.013
local terms energy: -63.002976
where:
bonds (distance) C4'-P energy: -13.267
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.615
flat angles P-C4'-P energy: -4.957
tors. eta vs tors. theta energy: -13.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -113.659097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.659097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.659097 (E_RNA)
where:
Base-Base interactions energy: -50.180
where: short stacking energy: -50.180
Base-Backbone interact. energy: -0.001
local terms energy: -63.478055
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -12.358
flat angles C4'-P-C4' energy: -11.471
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -13.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -90.188532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.188532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.188532 (E_RNA)
where:
Base-Base interactions energy: -34.813
where: short stacking energy: -33.518
Base-Backbone interact. energy: -0.008
local terms energy: -55.367557
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.184
flat angles C4'-P-C4' energy: -13.561
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -5.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -84.741153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.741153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.741153 (E_RNA)
where:
Base-Base interactions energy: -38.909
where: short stacking energy: -28.296
Base-Backbone interact. energy: -0.036
local terms energy: -45.795643
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -4.024
tors. eta vs tors. theta energy: -2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -81.479575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479575 (E_RNA)
where:
Base-Base interactions energy: -36.265
where: short stacking energy: -36.065
Base-Backbone interact. energy: 0.141
local terms energy: -45.355378
where:
bonds (distance) C4'-P energy: -9.357
bonds (distance) P-C4' energy: -9.059
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -3.270
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: 10
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -228.368336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.368336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.368336 (E_RNA)
where:
Base-Base interactions energy: -160.503
where: short stacking energy: -72.441
Base-Backbone interact. energy: -0.338
local terms energy: -67.526824
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -8.951
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: 2, replica: 2
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -227.080721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.080721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.080721 (E_RNA)
where:
Base-Base interactions energy: -146.056
where: short stacking energy: -72.837
Base-Backbone interact. energy: -0.035
local terms energy: -80.989659
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -17.989
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -8.892
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: 3, replica: 7
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -200.969408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.969408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.969408 (E_RNA)
where:
Base-Base interactions energy: -125.790
where: short stacking energy: -63.421
Base-Backbone interact. energy: -0.085
local terms energy: -75.094327
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -10.287
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: 4, replica: 1
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -180.631886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631886 (E_RNA)
where:
Base-Base interactions energy: -115.520
where: short stacking energy: -58.351
Base-Backbone interact. energy: -0.095
local terms energy: -65.016791
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -13.978
flat angles P-C4'-P energy: -6.693
tors. eta vs tors. theta energy: -14.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -179.517619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.517619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.517619 (E_RNA)
where:
Base-Base interactions energy: -116.413
where: short stacking energy: -58.509
Base-Backbone interact. energy: -0.080
local terms energy: -63.023651
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -11.797
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -16.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -174.784148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.784148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.784148 (E_RNA)
where:
Base-Base interactions energy: -112.892
where: short stacking energy: -50.592
Base-Backbone interact. energy: -0.008
local terms energy: -61.883933
where:
bonds (distance) C4'-P energy: -11.897
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -7.701
tors. eta vs tors. theta energy: -10.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -126.620961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.620961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.620961 (E_RNA)
where:
Base-Base interactions energy: -85.450
where: short stacking energy: -39.236
Base-Backbone interact. energy: 1.576
local terms energy: -42.747314
where:
bonds (distance) C4'-P energy: -11.151
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -5.059
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: 8, replica: 8
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -98.161696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.161696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.161696 (E_RNA)
where:
Base-Base interactions energy: -37.699
where: short stacking energy: -35.799
Base-Backbone interact. energy: -0.055
local terms energy: -60.407792
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -8.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -89.621419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.621419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.621419 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -25.375
Base-Backbone interact. energy: -0.861
local terms energy: -52.081334
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -11.630
flat angles C4'-P-C4' energy: -11.116
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -5.588
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: 5
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -72.559462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.559462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.559462 (E_RNA)
where:
Base-Base interactions energy: -23.836
where: short stacking energy: -22.544
Base-Backbone interact. energy: -0.086
local terms energy: -48.637325
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -10.859
flat angles P-C4'-P energy: -6.387
tors. eta vs tors. theta energy: -0.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -229.649069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.649069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.649069 (E_RNA)
where:
Base-Base interactions energy: -146.739
where: short stacking energy: -71.073
Base-Backbone interact. energy: -0.182
local terms energy: -82.728126
where:
bonds (distance) C4'-P energy: -15.890
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -20.467
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: 2, replica: 10
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -225.052376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.052376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.052376 (E_RNA)
where:
Base-Base interactions energy: -148.668
where: short stacking energy: -71.675
Base-Backbone interact. energy: -1.297
local terms energy: -75.087273
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -14.700
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -195.874318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.874318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.874318 (E_RNA)
where:
Base-Base interactions energy: -126.941
where: short stacking energy: -65.516
Base-Backbone interact. energy: -0.008
local terms energy: -68.925889
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -13.103
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: 7
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -222.311416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.311416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.311416 (E_RNA)
where:
Base-Base interactions energy: -149.800
where: short stacking energy: -64.299
Base-Backbone interact. energy: -0.559
local terms energy: -71.952591
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -11.508
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -8.956
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -187.556739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.556739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.556739 (E_RNA)
where:
Base-Base interactions energy: -111.952
where: short stacking energy: -50.718
Base-Backbone interact. energy: 0.236
local terms energy: -75.840940
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -16.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -173.415886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.415886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.415886 (E_RNA)
where:
Base-Base interactions energy: -112.623
where: short stacking energy: -54.097
Base-Backbone interact. energy: -0.177
local terms energy: -60.616283
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -14.537
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -12.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -135.867527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.867527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.867527 (E_RNA)
where:
Base-Base interactions energy: -80.029
where: short stacking energy: -45.623
Base-Backbone interact. energy: -0.144
local terms energy: -55.694833
where:
bonds (distance) C4'-P energy: -11.478
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -14.832
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -7.364
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: 8
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -80.778178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.778178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.778178 (E_RNA)
where:
Base-Base interactions energy: -36.419
where: short stacking energy: -34.963
Base-Backbone interact. energy: -0.008
local terms energy: -44.350774
where:
bonds (distance) C4'-P energy: -12.904
bonds (distance) P-C4' energy: -9.845
flat angles C4'-P-C4' energy: -7.714
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -7.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -85.528791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.528791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.528791 (E_RNA)
where:
Base-Base interactions energy: -33.151
where: short stacking energy: -28.435
Base-Backbone interact. energy: -0.117
local terms energy: -52.260864
where:
bonds (distance) C4'-P energy: -11.399
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -9.131
flat angles P-C4'-P energy: -9.177
tors. eta vs tors. theta energy: -6.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -74.785303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.785303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.785303 (E_RNA)
where:
Base-Base interactions energy: -26.414
where: short stacking energy: -24.707
Base-Backbone interact. energy: -0.020
local terms energy: -48.351101
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -7.973
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: 1, replica: 2
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -230.654249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.654249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.654249 (E_RNA)
where:
Base-Base interactions energy: -154.048
where: short stacking energy: -70.818
Base-Backbone interact. energy: -0.001
local terms energy: -76.605448
where:
bonds (distance) C4'-P energy: -15.116
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -8.854
tors. eta vs tors. theta energy: -20.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -210.362850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.362850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.362850 (E_RNA)
where:
Base-Base interactions energy: -137.769
where: short stacking energy: -58.986
Base-Backbone interact. energy: -0.087
local terms energy: -72.506928
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -17.429
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -14.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -196.235166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.235166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.235166 (E_RNA)
where:
Base-Base interactions energy: -128.197
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.573
local terms energy: -67.465117
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -13.237
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -11.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -189.910663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.910663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.910663 (E_RNA)
where:
Base-Base interactions energy: -124.820
where: short stacking energy: -57.574
Base-Backbone interact. energy: -0.046
local terms energy: -65.044073
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -12.322
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: 5, replica: 7
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -197.266164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.266164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.266164 (E_RNA)
where:
Base-Base interactions energy: -128.860
where: short stacking energy: -57.182
Base-Backbone interact. energy: -0.049
local terms energy: -68.357652
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -11.660
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.052
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: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -136.640055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.640055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.640055 (E_RNA)
where:
Base-Base interactions energy: -79.351
where: short stacking energy: -42.817
Base-Backbone interact. energy: -0.043
local terms energy: -57.245768
where:
bonds (distance) C4'-P energy: -11.772
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -10.139
tors. eta vs tors. theta energy: -7.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -175.311999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.311999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.311999 (E_RNA)
where:
Base-Base interactions energy: -110.788
where: short stacking energy: -54.685
Base-Backbone interact. energy: -0.214
local terms energy: -64.310266
where:
bonds (distance) C4'-P energy: -10.323
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -14.992
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -16.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -82.361936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.361936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.361936 (E_RNA)
where:
Base-Base interactions energy: -28.409
where: short stacking energy: -26.940
Base-Backbone interact. energy: -0.049
local terms energy: -53.903109
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -12.238
flat angles P-C4'-P energy: -9.857
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: 5
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -99.917169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.917169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.917169 (E_RNA)
where:
Base-Base interactions energy: -46.076
where: short stacking energy: -28.955
Base-Backbone interact. energy: -0.345
local terms energy: -53.496563
where:
bonds (distance) C4'-P energy: -11.477
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -13.301
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: -6.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -88.814684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814684 (E_RNA)
where:
Base-Base interactions energy: -42.643
where: short stacking energy: -35.338
Base-Backbone interact. energy: -0.004
local terms energy: -46.167813
where:
bonds (distance) C4'-P energy: -5.194
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -7.726
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: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -233.993365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.993365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.993365 (E_RNA)
where:
Base-Base interactions energy: -153.408
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.001
local terms energy: -80.583487
where:
bonds (distance) C4'-P energy: -16.806
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -14.883
flat angles P-C4'-P energy: -13.016
tors. eta vs tors. theta energy: -21.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -215.976514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.976514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.976514 (E_RNA)
where:
Base-Base interactions energy: -136.912
where: short stacking energy: -61.694
Base-Backbone interact. energy: -0.855
local terms energy: -78.209591
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.851
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: 3, replica: 6
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -185.494195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.494195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.494195 (E_RNA)
where:
Base-Base interactions energy: -121.239
where: short stacking energy: -51.582
Base-Backbone interact. energy: -0.196
local terms energy: -64.058960
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -14.764
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -11.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -182.003940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.003940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.003940 (E_RNA)
where:
Base-Base interactions energy: -115.834
where: short stacking energy: -56.170
Base-Backbone interact. energy: 0.161
local terms energy: -66.331106
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -13.659
flat angles P-C4'-P energy: -8.577
tors. eta vs tors. theta energy: -14.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -198.357434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.357434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.357434 (E_RNA)
where:
Base-Base interactions energy: -128.199
where: short stacking energy: -63.765
Base-Backbone interact. energy: -0.583
local terms energy: -69.575413
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -11.767
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -20.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -144.175423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.175423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.175423 (E_RNA)
where:
Base-Base interactions energy: -87.914
where: short stacking energy: -43.685
Base-Backbone interact. energy: 0.644
local terms energy: -56.905491
where:
bonds (distance) C4'-P energy: -7.421
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -8.950
tors. eta vs tors. theta energy: -10.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -171.992475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.992475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.992475 (E_RNA)
where:
Base-Base interactions energy: -108.582
where: short stacking energy: -45.562
Base-Backbone interact. energy: 1.454
local terms energy: -64.864031
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -13.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -100.777524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.777524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.777524 (E_RNA)
where:
Base-Base interactions energy: -38.666
where: short stacking energy: -38.666
Base-Backbone interact. energy: -0.106
local terms energy: -62.005725
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -9.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -88.513248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.513248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.513248 (E_RNA)
where:
Base-Base interactions energy: -39.463
where: short stacking energy: -28.453
Base-Backbone interact. energy: -0.049
local terms energy: -49.001030
where:
bonds (distance) C4'-P energy: -12.024
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -4.223
tors. eta vs tors. theta energy: -3.953
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: 10, replica: 5
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -80.847026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.847026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.847026 (E_RNA)
where:
Base-Base interactions energy: -37.703
where: short stacking energy: -27.612
Base-Backbone interact. energy: -0.262
local terms energy: -42.881222
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -8.850
flat angles C4'-P-C4' energy: -8.306
flat angles P-C4'-P energy: -7.999
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: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -235.993086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.993086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.993086 (E_RNA)
where:
Base-Base interactions energy: -155.003
where: short stacking energy: -74.757
Base-Backbone interact. energy: -0.000
local terms energy: -80.990160
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -14.107
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -14.965
tors. eta vs tors. theta energy: -20.484
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: 10
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -226.583620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.583620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.583620 (E_RNA)
where:
Base-Base interactions energy: -147.756
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.126
local terms energy: -78.701169
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -23.098
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: 3, replica: 6
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -195.927847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927847 (E_RNA)
where:
Base-Base interactions energy: -125.968
where: short stacking energy: -61.595
Base-Backbone interact. energy: -0.024
local terms energy: -69.935757
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -14.283
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -14.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -200.131443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.131443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.131443 (E_RNA)
where:
Base-Base interactions energy: -136.490
where: short stacking energy: -74.449
Base-Backbone interact. energy: 3.771
local terms energy: -67.412276
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -16.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -213.227709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227709 (E_RNA)
where:
Base-Base interactions energy: -146.626
where: short stacking energy: -60.870
Base-Backbone interact. energy: -0.369
local terms energy: -66.232914
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -14.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -178.955734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.955734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.955734 (E_RNA)
where:
Base-Base interactions energy: -118.018
where: short stacking energy: -64.720
Base-Backbone interact. energy: -0.055
local terms energy: -60.882849
where:
bonds (distance) C4'-P energy: -14.591
bonds (distance) P-C4' energy: -5.210
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -10.703
tors. eta vs tors. theta energy: -15.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -139.443249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.443249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.443249 (E_RNA)
where:
Base-Base interactions energy: -83.994
where: short stacking energy: -43.159
Base-Backbone interact. energy: -0.125
local terms energy: -55.323501
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -6.288
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -91.103982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.103982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.103982 (E_RNA)
where:
Base-Base interactions energy: -42.633
where: short stacking energy: -29.752
Base-Backbone interact. energy: -0.254
local terms energy: -48.216811
where:
bonds (distance) C4'-P energy: -6.225
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -12.519
flat angles P-C4'-P energy: -7.424
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: 9
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -82.420938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.420938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.420938 (E_RNA)
where:
Base-Base interactions energy: -34.334
where: short stacking energy: -33.950
Base-Backbone interact. energy: -0.192
local terms energy: -47.894236
where:
bonds (distance) C4'-P energy: -11.616
bonds (distance) P-C4' energy: -11.773
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -7.174
tors. eta vs tors. theta energy: -3.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -85.063977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.063977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.063977 (E_RNA)
where:
Base-Base interactions energy: -40.485
where: short stacking energy: -16.699
Base-Backbone interact. energy: -0.320
local terms energy: -44.259081
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -10.018
flat angles C4'-P-C4' energy: -8.896
flat angles P-C4'-P energy: -10.173
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: 1, replica: 10
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -227.114161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.114161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.114161 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -69.785
Base-Backbone interact. energy: -0.019
local terms energy: -78.191702
where:
bonds (distance) C4'-P energy: -14.372
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -21.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -230.213393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.213393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.213393 (E_RNA)
where:
Base-Base interactions energy: -148.751
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.216
local terms energy: -81.246150
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.989
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: 7
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -213.009615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.009615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.009615 (E_RNA)
where:
Base-Base interactions energy: -136.789
where: short stacking energy: -62.904
Base-Backbone interact. energy: -0.301
local terms energy: -75.919661
where:
bonds (distance) C4'-P energy: -10.971
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -12.258
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: 4, replica: 6
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -196.677633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.677633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.677633 (E_RNA)
where:
Base-Base interactions energy: -129.261
where: short stacking energy: -60.831
Base-Backbone interact. energy: -0.108
local terms energy: -67.308127
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -210.910382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.910382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.910382 (E_RNA)
where:
Base-Base interactions energy: -144.788
where: short stacking energy: -59.255
Base-Backbone interact. energy: -0.385
local terms energy: -65.737785
where:
bonds (distance) C4'-P energy: -15.151
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -13.445
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -11.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -175.306975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.306975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.306975 (E_RNA)
where:
Base-Base interactions energy: -111.860
where: short stacking energy: -53.332
Base-Backbone interact. energy: 0.155
local terms energy: -63.602514
where:
bonds (distance) C4'-P energy: -10.632
bonds (distance) P-C4' energy: -15.771
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -14.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -134.652979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.652979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.652979 (E_RNA)
where:
Base-Base interactions energy: -82.925
where: short stacking energy: -46.934
Base-Backbone interact. energy: -2.793
local terms energy: -48.935092
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -7.709
flat angles C4'-P-C4' energy: -13.981
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -7.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -95.555878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.555878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.555878 (E_RNA)
where:
Base-Base interactions energy: -35.950
where: short stacking energy: -35.950
Base-Backbone interact. energy: -0.131
local terms energy: -59.474781
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -11.968
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -7.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -153.128137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.128137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.128137 (E_RNA)
where:
Base-Base interactions energy: -90.666
where: short stacking energy: -37.891
Base-Backbone interact. energy: -0.210
local terms energy: -62.252356
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -14.513
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -9.719
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: 392
Temperature: 1.350000
Total energy: -79.107902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.107902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.107902 (E_RNA)
where:
Base-Base interactions energy: -36.559
where: short stacking energy: -17.963
Base-Backbone interact. energy: -0.096
local terms energy: -42.453071
where:
bonds (distance) C4'-P energy: -11.643
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: 1.834
tors. eta vs tors. theta energy: -1.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -234.993645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.993645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.993645 (E_RNA)
where:
Base-Base interactions energy: -151.730
where: short stacking energy: -75.558
Base-Backbone interact. energy: -0.010
local terms energy: -83.253713
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -14.745
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -12.814
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: 2, replica: 7
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -223.776644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.776644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.776644 (E_RNA)
where:
Base-Base interactions energy: -149.535
where: short stacking energy: -73.728
Base-Backbone interact. energy: -0.001
local terms energy: -74.240842
where:
bonds (distance) C4'-P energy: -10.190
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -223.497845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.497845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.497845 (E_RNA)
where:
Base-Base interactions energy: -147.314
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.001
local terms energy: -76.182671
where:
bonds (distance) C4'-P energy: -13.042
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -12.673
tors. eta vs tors. theta energy: -20.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -201.234220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.234220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.234220 (E_RNA)
where:
Base-Base interactions energy: -135.493
where: short stacking energy: -51.365
Base-Backbone interact. energy: 0.027
local terms energy: -65.768307
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -12.693
flat angles P-C4'-P energy: -7.462
tors. eta vs tors. theta energy: -14.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -188.831541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.831541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.831541 (E_RNA)
where:
Base-Base interactions energy: -124.271
where: short stacking energy: -58.103
Base-Backbone interact. energy: -0.234
local terms energy: -64.326067
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: -12.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -181.066485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.066485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.066485 (E_RNA)
where:
Base-Base interactions energy: -118.771
where: short stacking energy: -46.659
Base-Backbone interact. energy: -0.415
local terms energy: -61.880445
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -130.458276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.458276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.458276 (E_RNA)
where:
Base-Base interactions energy: -72.328
where: short stacking energy: -33.763
Base-Backbone interact. energy: -1.328
local terms energy: -56.801802
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.007
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -7.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -152.303341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.303341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.303341 (E_RNA)
where:
Base-Base interactions energy: -100.276
where: short stacking energy: -47.917
Base-Backbone interact. energy: -0.184
local terms energy: -51.843405
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -13.038
flat angles C4'-P-C4' energy: -9.833
flat angles P-C4'-P energy: -5.876
tors. eta vs tors. theta energy: -7.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -96.968008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.968008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.968008 (E_RNA)
where:
Base-Base interactions energy: -40.720
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.184
local terms energy: -56.064321
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -8.400
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: 10, replica: 9
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -75.285666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.285666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.285666 (E_RNA)
where:
Base-Base interactions energy: -24.949
where: short stacking energy: -24.949
Base-Backbone interact. energy: -0.089
local terms energy: -50.248080
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -9.781
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -12.267
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: 1, replica: 10
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -237.281087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.281087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.281087 (E_RNA)
where:
Base-Base interactions energy: -157.511
where: short stacking energy: -76.195
Base-Backbone interact. energy: -0.000
local terms energy: -79.769593
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -22.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -228.488352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.488352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.488352 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -76.135
Base-Backbone interact. energy: -0.008
local terms energy: -80.852995
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -19.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -222.488585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.488585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.488585 (E_RNA)
where:
Base-Base interactions energy: -153.423
where: short stacking energy: -66.317
Base-Backbone interact. energy: 0.038
local terms energy: -69.103384
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -10.673
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -11.949
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: 1
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -191.501143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.501143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.501143 (E_RNA)
where:
Base-Base interactions energy: -117.659
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.111
local terms energy: -73.731358
where:
bonds (distance) C4'-P energy: -11.689
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -11.144
tors. eta vs tors. theta energy: -17.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -187.998778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.998778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.998778 (E_RNA)
where:
Base-Base interactions energy: -119.792
where: short stacking energy: -62.385
Base-Backbone interact. energy: -0.076
local terms energy: -68.130729
where:
bonds (distance) C4'-P energy: -15.614
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -9.287
tors. eta vs tors. theta energy: -14.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -176.616940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.616940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.616940 (E_RNA)
where:
Base-Base interactions energy: -114.498
where: short stacking energy: -50.088
Base-Backbone interact. energy: -0.063
local terms energy: -62.056331
where:
bonds (distance) C4'-P energy: -14.426
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -8.180
tors. eta vs tors. theta energy: -12.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -168.544533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.544533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.544533 (E_RNA)
where:
Base-Base interactions energy: -120.012
where: short stacking energy: -60.473
Base-Backbone interact. energy: -0.001
local terms energy: -48.530947
where:
bonds (distance) C4'-P energy: -9.731
bonds (distance) P-C4' energy: -9.090
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -4.701
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: 8, replica: 3
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -120.023590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.023590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.023590 (E_RNA)
where:
Base-Base interactions energy: -69.977
where: short stacking energy: -44.109
Base-Backbone interact. energy: -0.094
local terms energy: -49.953373
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -8.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -79.440323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.440323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.440323 (E_RNA)
where:
Base-Base interactions energy: -34.393
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.152
local terms energy: -44.895472
where:
bonds (distance) C4'-P energy: -9.113
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -9.197
flat angles P-C4'-P energy: -6.713
tors. eta vs tors. theta energy: -5.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -73.581183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.581183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.581183 (E_RNA)
where:
Base-Base interactions energy: -33.937
where: short stacking energy: -15.159
Base-Backbone interact. energy: -0.397
local terms energy: -39.247808
where:
bonds (distance) C4'-P energy: -9.928
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -6.847
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: 1, replica: 10
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -235.266336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.266336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.266336 (E_RNA)
where:
Base-Base interactions energy: -153.983
where: short stacking energy: -76.731
Base-Backbone interact. energy: -0.014
local terms energy: -81.269661
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -16.298
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -19.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -228.315480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.315480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.315480 (E_RNA)
where:
Base-Base interactions energy: -152.583
where: short stacking energy: -77.372
Base-Backbone interact. energy: -0.547
local terms energy: -75.185176
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -12.606
tors. eta vs tors. theta energy: -17.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -226.532906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.532906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.532906 (E_RNA)
where:
Base-Base interactions energy: -150.548
where: short stacking energy: -71.059
Base-Backbone interact. energy: -0.003
local terms energy: -75.982273
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -7.745
tors. eta vs tors. theta energy: -22.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -192.279783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.279783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.279783 (E_RNA)
where:
Base-Base interactions energy: -121.345
where: short stacking energy: -58.507
Base-Backbone interact. energy: -0.003
local terms energy: -70.931715
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -15.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -183.441635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.441635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.441635 (E_RNA)
where:
Base-Base interactions energy: -113.565
where: short stacking energy: -55.299
Base-Backbone interact. energy: -0.104
local terms energy: -69.771946
where:
bonds (distance) C4'-P energy: -12.733
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -14.484
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -14.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -182.658006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.658006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.658006 (E_RNA)
where:
Base-Base interactions energy: -120.520
where: short stacking energy: -61.956
Base-Backbone interact. energy: 2.721
local terms energy: -64.859589
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -14.200
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -11.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -178.232097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.232097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.232097 (E_RNA)
where:
Base-Base interactions energy: -114.056
where: short stacking energy: -50.644
Base-Backbone interact. energy: -0.120
local terms energy: -64.055302
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -7.906
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -11.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -84.467681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.467681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.467681 (E_RNA)
where:
Base-Base interactions energy: -30.866
where: short stacking energy: -28.000
Base-Backbone interact. energy: -0.009
local terms energy: -53.592484
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -11.171
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -3.457
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: 3
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -74.862937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.862937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.862937 (E_RNA)
where:
Base-Base interactions energy: -30.133
where: short stacking energy: -26.818
Base-Backbone interact. energy: 0.275
local terms energy: -45.004979
where:
bonds (distance) C4'-P energy: -13.751
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -11.992
flat angles P-C4'-P energy: -9.888
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: 10, replica: 8
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -75.055600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.055600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.055600 (E_RNA)
where:
Base-Base interactions energy: -25.124
where: short stacking energy: -24.616
Base-Backbone interact. energy: -0.053
local terms energy: -49.878215
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -11.743
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: 0.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -227.273939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.273939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.273939 (E_RNA)
where:
Base-Base interactions energy: -150.277
where: short stacking energy: -78.915
Base-Backbone interact. energy: -0.020
local terms energy: -76.977020
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -7.858
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: 2, replica: 10
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -224.574494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.574494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.574494 (E_RNA)
where:
Base-Base interactions energy: -150.373
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.089
local terms energy: -74.112633
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -15.252
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -21.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -223.983187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.983187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.983187 (E_RNA)
where:
Base-Base interactions energy: -146.109
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.001
local terms energy: -77.873811
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.515
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: 4, replica: 4
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -188.468845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.468845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.468845 (E_RNA)
where:
Base-Base interactions energy: -126.770
where: short stacking energy: -63.978
Base-Backbone interact. energy: -0.017
local terms energy: -61.682205
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.764
flat angles P-C4'-P energy: -9.800
tors. eta vs tors. theta energy: -7.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -186.933578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.933578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.933578 (E_RNA)
where:
Base-Base interactions energy: -125.601
where: short stacking energy: -56.735
Base-Backbone interact. energy: -0.426
local terms energy: -60.906860
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -11.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -171.021112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.021112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.021112 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.019
local terms energy: -67.430087
where:
bonds (distance) C4'-P energy: -8.537
bonds (distance) P-C4' energy: -14.550
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.948
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: 7, replica: 5
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -182.454451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.454451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.454451 (E_RNA)
where:
Base-Base interactions energy: -120.301
where: short stacking energy: -58.281
Base-Backbone interact. energy: -0.002
local terms energy: -62.151622
where:
bonds (distance) C4'-P energy: -8.072
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -19.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -82.349297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.349297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.349297 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -32.700
Base-Backbone interact. energy: -0.578
local terms energy: -47.482579
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -6.478
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -2.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -81.073709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073709 (E_RNA)
where:
Base-Base interactions energy: -29.013
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.080
local terms energy: -51.980228
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -6.637
tors. eta vs tors. theta energy: -4.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -78.680993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.680993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.680993 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -27.294
Base-Backbone interact. energy: 1.961
local terms energy: -45.772019
where:
bonds (distance) C4'-P energy: -11.416
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: 2.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -225.996309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.996309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.996309 (E_RNA)
where:
Base-Base interactions energy: -157.202
where: short stacking energy: -66.719
Base-Backbone interact. energy: -0.112
local terms energy: -68.681443
where:
bonds (distance) C4'-P energy: -14.790
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -13.499
flat angles P-C4'-P energy: -10.957
tors. eta vs tors. theta energy: -16.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -226.914926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.914926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.914926 (E_RNA)
where:
Base-Base interactions energy: -148.211
where: short stacking energy: -70.568
Base-Backbone interact. energy: -0.157
local terms energy: -78.547874
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -21.031
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: 3, replica: 10
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -223.304770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.304770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.304770 (E_RNA)
where:
Base-Base interactions energy: -149.471
where: short stacking energy: -72.575
Base-Backbone interact. energy: -0.124
local terms energy: -73.709997
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -10.505
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: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -198.564366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.564366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.564366 (E_RNA)
where:
Base-Base interactions energy: -134.232
where: short stacking energy: -58.285
Base-Backbone interact. energy: -0.169
local terms energy: -64.163737
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -8.509
flat angles P-C4'-P energy: -10.270
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: 5, replica: 4
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -190.894202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.894202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.894202 (E_RNA)
where:
Base-Base interactions energy: -121.743
where: short stacking energy: -57.473
Base-Backbone interact. energy: -0.001
local terms energy: -69.150403
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -9.700
tors. eta vs tors. theta energy: -15.141
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: 6, replica: 5
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -188.489287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.489287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.489287 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -51.963
Base-Backbone interact. energy: -1.017
local terms energy: -69.466319
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.610
tors. eta vs tors. theta energy: -15.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -174.934832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.934832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.934832 (E_RNA)
where:
Base-Base interactions energy: -111.855
where: short stacking energy: -52.926
Base-Backbone interact. energy: 0.397
local terms energy: -63.476167
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -11.748
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -9.430
tors. eta vs tors. theta energy: -13.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -81.561665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561665 (E_RNA)
where:
Base-Base interactions energy: -30.818
where: short stacking energy: -30.189
Base-Backbone interact. energy: -0.220
local terms energy: -50.523397
where:
bonds (distance) C4'-P energy: -11.867
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -14.277
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -3.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -89.585747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.585747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.585747 (E_RNA)
where:
Base-Base interactions energy: -36.098
where: short stacking energy: -27.144
Base-Backbone interact. energy: -0.298
local terms energy: -53.189351
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -13.744
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -3.044
tors. eta vs tors. theta energy: -6.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -77.834830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834830 (E_RNA)
where:
Base-Base interactions energy: -30.663
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.960
local terms energy: -46.211836
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -7.736
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -1.014
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -231.243425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.243425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.243425 (E_RNA)
where:
Base-Base interactions energy: -150.971
where: short stacking energy: -70.694
Base-Backbone interact. energy: -0.005
local terms energy: -80.267277
where:
bonds (distance) C4'-P energy: -15.398
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -22.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -232.996847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.996847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.996847 (E_RNA)
where:
Base-Base interactions energy: -149.406
where: short stacking energy: -75.585
Base-Backbone interact. energy: -0.161
local terms energy: -83.429984
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -17.371
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -22.517
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: 10
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -221.550168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.550168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.550168 (E_RNA)
where:
Base-Base interactions energy: -145.352
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.005
local terms energy: -76.193574
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -12.705
flat angles P-C4'-P energy: -12.615
tors. eta vs tors. theta energy: -19.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -200.776484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.776484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.776484 (E_RNA)
where:
Base-Base interactions energy: -136.772
where: short stacking energy: -58.055
Base-Backbone interact. energy: 0.093
local terms energy: -64.097673
where:
bonds (distance) C4'-P energy: -12.377
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -12.498
flat angles P-C4'-P energy: -8.997
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: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -197.575095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.575095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.575095 (E_RNA)
where:
Base-Base interactions energy: -142.688
where: short stacking energy: -60.155
Base-Backbone interact. energy: -0.018
local terms energy: -54.868747
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -9.930
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -13.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -172.756181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.756181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.756181 (E_RNA)
where:
Base-Base interactions energy: -114.057
where: short stacking energy: -46.772
Base-Backbone interact. energy: -0.054
local terms energy: -58.645068
where:
bonds (distance) C4'-P energy: -11.610
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -10.068
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -11.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -172.180011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.180011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.180011 (E_RNA)
where:
Base-Base interactions energy: -105.913
where: short stacking energy: -50.337
Base-Backbone interact. energy: -0.007
local terms energy: -66.260496
where:
bonds (distance) C4'-P energy: -14.335
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -15.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -81.992072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.992072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.992072 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.015
local terms energy: -46.795792
where:
bonds (distance) C4'-P energy: -11.176
bonds (distance) P-C4' energy: -15.315
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -3.189
tors. eta vs tors. theta energy: -6.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -80.804951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.804951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.804951 (E_RNA)
where:
Base-Base interactions energy: -37.477
where: short stacking energy: -29.506
Base-Backbone interact. energy: -0.330
local terms energy: -42.997808
where:
bonds (distance) C4'-P energy: -10.833
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -4.111
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: 3
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -78.699968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.699968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.699968 (E_RNA)
where:
Base-Base interactions energy: -26.274
where: short stacking energy: -26.274
Base-Backbone interact. energy: 0.532
local terms energy: -52.957985
where:
bonds (distance) C4'-P energy: -15.320
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -10.762
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -2.991
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -238.878882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.878882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.878882 (E_RNA)
where:
Base-Base interactions energy: -158.532
where: short stacking energy: -74.721
Base-Backbone interact. energy: -0.129
local terms energy: -80.217718
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -16.656
flat angles P-C4'-P energy: -13.305
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: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -216.960359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.960359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.960359 (E_RNA)
where:
Base-Base interactions energy: -138.376
where: short stacking energy: -74.548
Base-Backbone interact. energy: -0.008
local terms energy: -78.576711
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -21.588
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: 7
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -224.755677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.755677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.755677 (E_RNA)
where:
Base-Base interactions energy: -147.770
where: short stacking energy: -70.959
Base-Backbone interact. energy: 0.993
local terms energy: -77.978381
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -19.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -193.271019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.271019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.271019 (E_RNA)
where:
Base-Base interactions energy: -123.897
where: short stacking energy: -55.680
Base-Backbone interact. energy: -0.202
local terms energy: -69.172391
where:
bonds (distance) C4'-P energy: -15.763
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -6.576
tors. eta vs tors. theta energy: -14.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -177.375392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.375392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.375392 (E_RNA)
where:
Base-Base interactions energy: -108.585
where: short stacking energy: -41.689
Base-Backbone interact. energy: -0.220
local terms energy: -68.570846
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -13.116
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -182.120171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.120171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.120171 (E_RNA)
where:
Base-Base interactions energy: -116.469
where: short stacking energy: -54.751
Base-Backbone interact. energy: -0.839
local terms energy: -64.811545
where:
bonds (distance) C4'-P energy: -17.149
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -12.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -192.531149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.531149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.531149 (E_RNA)
where:
Base-Base interactions energy: -130.592
where: short stacking energy: -52.149
Base-Backbone interact. energy: -0.331
local terms energy: -61.608007
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -9.183
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: 8, replica: 9
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -80.772744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.772744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.772744 (E_RNA)
where:
Base-Base interactions energy: -28.514
where: short stacking energy: -24.594
Base-Backbone interact. energy: -1.320
local terms energy: -50.938609
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -14.418
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -2.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -76.470942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.470942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.470942 (E_RNA)
where:
Base-Base interactions energy: -30.453
where: short stacking energy: -23.577
Base-Backbone interact. energy: -0.086
local terms energy: -45.932558
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -8.388
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -1.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -86.065252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.065252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.065252 (E_RNA)
where:
Base-Base interactions energy: -44.696
where: short stacking energy: -34.383
Base-Backbone interact. energy: -0.276
local terms energy: -41.093239
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -13.717
flat angles C4'-P-C4' energy: -9.120
flat angles P-C4'-P energy: -4.738
tors. eta vs tors. theta energy: -3.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -235.292552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.292552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.292552 (E_RNA)
where:
Base-Base interactions energy: -154.074
where: short stacking energy: -73.509
Base-Backbone interact. energy: -0.001
local terms energy: -81.217851
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -21.176
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: 2, replica: 10
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -231.338786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.338786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.338786 (E_RNA)
where:
Base-Base interactions energy: -151.313
where: short stacking energy: -76.633
Base-Backbone interact. energy: -0.241
local terms energy: -79.784814
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -10.350
tors. eta vs tors. theta energy: -21.161
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: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -207.985286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.985286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.985286 (E_RNA)
where:
Base-Base interactions energy: -136.834
where: short stacking energy: -66.175
Base-Backbone interact. energy: -0.010
local terms energy: -71.142012
where:
bonds (distance) C4'-P energy: -13.524
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -17.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -213.956596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.956596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.956596 (E_RNA)
where:
Base-Base interactions energy: -138.500
where: short stacking energy: -62.594
Base-Backbone interact. energy: -0.001
local terms energy: -75.455157
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -13.471
flat angles P-C4'-P energy: -8.859
tors. eta vs tors. theta energy: -21.505
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: 4
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -183.258089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.258089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.258089 (E_RNA)
where:
Base-Base interactions energy: -124.225
where: short stacking energy: -55.368
Base-Backbone interact. energy: -0.350
local terms energy: -58.683562
where:
bonds (distance) C4'-P energy: -10.024
bonds (distance) P-C4' energy: -12.463
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -6.821
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -179.695014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.695014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.695014 (E_RNA)
where:
Base-Base interactions energy: -111.088
where: short stacking energy: -57.935
Base-Backbone interact. energy: -0.284
local terms energy: -68.323414
where:
bonds (distance) C4'-P energy: -12.418
bonds (distance) P-C4' energy: -16.457
flat angles C4'-P-C4' energy: -12.673
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -15.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -89.837678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.837678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.837678 (E_RNA)
where:
Base-Base interactions energy: -38.563
where: short stacking energy: -37.751
Base-Backbone interact. energy: 0.312
local terms energy: -51.586694
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -173.977687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.977687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.977687 (E_RNA)
where:
Base-Base interactions energy: -116.944
where: short stacking energy: -45.441
Base-Backbone interact. energy: -0.572
local terms energy: -56.461742
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -11.004
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -9.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -101.282916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.282916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.282916 (E_RNA)
where:
Base-Base interactions energy: -46.762
where: short stacking energy: -28.832
Base-Backbone interact. energy: -0.753
local terms energy: -53.768513
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -12.262
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -7.231
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: 8
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -81.678493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.678493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.678493 (E_RNA)
where:
Base-Base interactions energy: -31.934
where: short stacking energy: -31.934
Base-Backbone interact. energy: 0.024
local terms energy: -49.769253
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -3.286
tors. eta vs tors. theta energy: -0.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -234.608043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.608043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.608043 (E_RNA)
where:
Base-Base interactions energy: -152.800
where: short stacking energy: -70.928
Base-Backbone interact. energy: -0.239
local terms energy: -81.569060
where:
bonds (distance) C4'-P energy: -12.665
bonds (distance) P-C4' energy: -14.563
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: -23.063
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: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -212.724676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.724676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.724676 (E_RNA)
where:
Base-Base interactions energy: -141.880
where: short stacking energy: -76.466
Base-Backbone interact. energy: 0.415
local terms energy: -71.259772
where:
bonds (distance) C4'-P energy: -16.793
bonds (distance) P-C4' energy: -11.915
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -7.066
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: 3, replica: 10
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -222.720889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.720889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.720889 (E_RNA)
where:
Base-Base interactions energy: -150.885
where: short stacking energy: -75.809
Base-Backbone interact. energy: -0.487
local terms energy: -71.348761
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -219.909383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.909383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.909383 (E_RNA)
where:
Base-Base interactions energy: -140.305
where: short stacking energy: -70.107
Base-Backbone interact. energy: -0.001
local terms energy: -79.603465
where:
bonds (distance) C4'-P energy: -11.651
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -22.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -177.795569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.795569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.795569 (E_RNA)
where:
Base-Base interactions energy: -113.383
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.086
local terms energy: -64.326457
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -7.989
tors. eta vs tors. theta energy: -10.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -187.222741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.222741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.222741 (E_RNA)
where:
Base-Base interactions energy: -120.316
where: short stacking energy: -64.279
Base-Backbone interact. energy: -0.020
local terms energy: -66.886870
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -10.660
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -13.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -88.707565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.707565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.707565 (E_RNA)
where:
Base-Base interactions energy: -33.254
where: short stacking energy: -22.579
Base-Backbone interact. energy: 0.551
local terms energy: -56.003821
where:
bonds (distance) C4'-P energy: -15.183
bonds (distance) P-C4' energy: -17.582
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: 1.858
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: 6
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -161.296905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.296905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.296905 (E_RNA)
where:
Base-Base interactions energy: -109.826
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.304
local terms energy: -51.167646
where:
bonds (distance) C4'-P energy: -8.794
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -9.259
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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -80.113675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.113675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.113675 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -14.895
Base-Backbone interact. energy: -0.463
local terms energy: -45.958364
where:
bonds (distance) C4'-P energy: -14.103
bonds (distance) P-C4' energy: -12.605
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: 0.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -76.640623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.640623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.640623 (E_RNA)
where:
Base-Base interactions energy: -23.960
where: short stacking energy: -20.402
Base-Backbone interact. energy: -0.084
local terms energy: -52.596101
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -7.946
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: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -211.094445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.094445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.094445 (E_RNA)
where:
Base-Base interactions energy: -137.142
where: short stacking energy: -71.682
Base-Backbone interact. energy: 0.675
local terms energy: -74.628005
where:
bonds (distance) C4'-P energy: -18.102
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -8.858
tors. eta vs tors. theta energy: -17.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -221.205616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.205616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.205616 (E_RNA)
where:
Base-Base interactions energy: -141.294
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.481
local terms energy: -79.430246
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.012
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -13.578
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -223.031518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.031518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.031518 (E_RNA)
where:
Base-Base interactions energy: -149.265
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.025
local terms energy: -73.741783
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -21.900
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: 10
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -216.342425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.342425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.342425 (E_RNA)
where:
Base-Base interactions energy: -140.036
where: short stacking energy: -60.746
Base-Backbone interact. energy: -0.241
local terms energy: -76.065101
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -12.312
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: 5, replica: 1
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -194.912708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.912708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.912708 (E_RNA)
where:
Base-Base interactions energy: -123.156
where: short stacking energy: -62.547
Base-Backbone interact. energy: -0.002
local terms energy: -71.754622
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -16.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -180.651432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.651432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.651432 (E_RNA)
where:
Base-Base interactions energy: -115.129
where: short stacking energy: -56.994
Base-Backbone interact. energy: 3.522
local terms energy: -69.044734
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -171.350548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.350548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.350548 (E_RNA)
where:
Base-Base interactions energy: -109.090
where: short stacking energy: -43.531
Base-Backbone interact. energy: 0.512
local terms energy: -62.772717
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -9.668
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: 8, replica: 9
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -115.919442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.919442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.919442 (E_RNA)
where:
Base-Base interactions energy: -63.046
where: short stacking energy: -36.244
Base-Backbone interact. energy: -0.075
local terms energy: -52.797909
where:
bonds (distance) C4'-P energy: -14.567
bonds (distance) P-C4' energy: -13.129
flat angles C4'-P-C4' energy: -10.258
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -82.559900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.559900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.559900 (E_RNA)
where:
Base-Base interactions energy: -30.655
where: short stacking energy: -22.748
Base-Backbone interact. energy: -0.867
local terms energy: -51.038607
where:
bonds (distance) C4'-P energy: -11.470
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -71.222546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.222546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.222546 (E_RNA)
where:
Base-Base interactions energy: -24.550
where: short stacking energy: -24.550
Base-Backbone interact. energy: -0.443
local terms energy: -46.229249
where:
bonds (distance) C4'-P energy: -7.032
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -11.731
flat angles P-C4'-P energy: -13.534
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: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -216.696252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.696252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.696252 (E_RNA)
where:
Base-Base interactions energy: -149.992
where: short stacking energy: -62.946
Base-Backbone interact. energy: 0.143
local terms energy: -66.846697
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.946
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -9.927
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: 2, replica: 7
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -219.596961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.596961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.596961 (E_RNA)
where:
Base-Base interactions energy: -147.123
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.123
local terms energy: -72.351110
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -12.176
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -225.873166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.873166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.873166 (E_RNA)
where:
Base-Base interactions energy: -145.844
where: short stacking energy: -68.660
Base-Backbone interact. energy: -0.374
local terms energy: -79.654863
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -9.393
tors. eta vs tors. theta energy: -20.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -187.086318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.086318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.086318 (E_RNA)
where:
Base-Base interactions energy: -127.868
where: short stacking energy: -57.927
Base-Backbone interact. energy: -0.055
local terms energy: -59.163426
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -12.464
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -5.393
tors. eta vs tors. theta energy: -17.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -213.009841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.009841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.009841 (E_RNA)
where:
Base-Base interactions energy: -141.292
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.001
local terms energy: -71.716782
where:
bonds (distance) C4'-P energy: -13.288
bonds (distance) P-C4' energy: -12.707
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -7.572
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: 6, replica: 6
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -176.029271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.029271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.029271 (E_RNA)
where:
Base-Base interactions energy: -119.785
where: short stacking energy: -48.775
Base-Backbone interact. energy: -0.189
local terms energy: -56.055749
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -10.700
flat angles P-C4'-P energy: -4.610
tors. eta vs tors. theta energy: -11.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -176.183905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.183905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.183905 (E_RNA)
where:
Base-Base interactions energy: -110.343
where: short stacking energy: -52.516
Base-Backbone interact. energy: -0.043
local terms energy: -65.797112
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -10.803
tors. eta vs tors. theta energy: -14.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -95.032644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.032644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.032644 (E_RNA)
where:
Base-Base interactions energy: -42.757
where: short stacking energy: -37.495
Base-Backbone interact. energy: -0.437
local terms energy: -51.839091
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -5.520
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: 9, replica: 3
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.142706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.142706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.142706 (E_RNA)
where:
Base-Base interactions energy: -39.594
where: short stacking energy: -35.074
Base-Backbone interact. energy: 0.419
local terms energy: -50.967049
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -5.282
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -9.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -77.088887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.088887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.088887 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -23.070
Base-Backbone interact. energy: -1.185
local terms energy: -50.873822
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -13.014
flat angles C4'-P-C4' energy: -10.287
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -2.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -232.489729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.489729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.489729 (E_RNA)
where:
Base-Base interactions energy: -153.530
where: short stacking energy: -73.983
Base-Backbone interact. energy: -0.007
local terms energy: -78.953221
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -15.261
flat angles P-C4'-P energy: -14.132
tors. eta vs tors. theta energy: -21.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -200.569638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.569638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.569638 (E_RNA)
where:
Base-Base interactions energy: -130.308
where: short stacking energy: -62.685
Base-Backbone interact. energy: -0.031
local terms energy: -70.229892
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -13.653
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -13.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -224.915934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.915934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.915934 (E_RNA)
where:
Base-Base interactions energy: -143.673
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.001
local terms energy: -81.241292
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -22.722
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: 1
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -185.931393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.931393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.931393 (E_RNA)
where:
Base-Base interactions energy: -117.280
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.241
local terms energy: -68.409930
where:
bonds (distance) C4'-P energy: -12.604
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -213.364399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.364399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.364399 (E_RNA)
where:
Base-Base interactions energy: -140.220
where: short stacking energy: -71.667
Base-Backbone interact. energy: -0.703
local terms energy: -72.440555
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -13.175
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -23.559
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: 6
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -179.919566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.919566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.919566 (E_RNA)
where:
Base-Base interactions energy: -108.326
where: short stacking energy: -53.317
Base-Backbone interact. energy: -1.212
local terms energy: -70.381697
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -13.789
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -18.524
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: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -96.143522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.143522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.143522 (E_RNA)
where:
Base-Base interactions energy: -39.276
where: short stacking energy: -39.276
Base-Backbone interact. energy: -0.011
local terms energy: -56.856677
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -4.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -104.262172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.262172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.262172 (E_RNA)
where:
Base-Base interactions energy: -56.680
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.093
local terms energy: -47.488564
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -13.075
flat angles C4'-P-C4' energy: -9.045
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -6.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -85.939803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.939803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.939803 (E_RNA)
where:
Base-Base interactions energy: -33.448
where: short stacking energy: -33.448
Base-Backbone interact. energy: -0.006
local terms energy: -52.486331
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.018
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: 3
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -82.879433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.879433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.879433 (E_RNA)
where:
Base-Base interactions energy: -33.729
where: short stacking energy: -31.100
Base-Backbone interact. energy: 0.403
local terms energy: -49.553056
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -16.111
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: 0.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -231.917564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.917564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.917564 (E_RNA)
where:
Base-Base interactions energy: -150.493
where: short stacking energy: -78.193
Base-Backbone interact. energy: -0.043
local terms energy: -81.381753
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -222.830378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.830378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.830378 (E_RNA)
where:
Base-Base interactions energy: -143.562
where: short stacking energy: -77.012
Base-Backbone interact. energy: -0.016
local terms energy: -79.252266
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -20.695
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: 5
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -188.741063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.741063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.741063 (E_RNA)
where:
Base-Base interactions energy: -119.153
where: short stacking energy: -67.937
Base-Backbone interact. energy: -0.045
local terms energy: -69.542794
where:
bonds (distance) C4'-P energy: -11.933
bonds (distance) P-C4' energy: -14.737
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -11.238
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: 4, replica: 10
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -220.229810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.229810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.229810 (E_RNA)
where:
Base-Base interactions energy: -143.913
where: short stacking energy: -70.585
Base-Backbone interact. energy: -0.986
local terms energy: -75.330296
where:
bonds (distance) C4'-P energy: -16.475
bonds (distance) P-C4' energy: -12.882
flat angles C4'-P-C4' energy: -14.135
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -20.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -177.448644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.448644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.448644 (E_RNA)
where:
Base-Base interactions energy: -121.782
where: short stacking energy: -58.645
Base-Backbone interact. energy: 0.152
local terms energy: -55.818464
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -12.074
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -1.368
tors. eta vs tors. theta energy: -14.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -167.295646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.295646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.295646 (E_RNA)
where:
Base-Base interactions energy: -111.293
where: short stacking energy: -50.272
Base-Backbone interact. energy: -0.109
local terms energy: -55.892841
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -9.647
flat angles C4'-P-C4' energy: -8.451
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -13.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -112.642381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.642381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.642381 (E_RNA)
where:
Base-Base interactions energy: -59.111
where: short stacking energy: -29.523
Base-Backbone interact. energy: -0.504
local terms energy: -53.027329
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -10.875
flat angles C4'-P-C4' energy: -11.457
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -8.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -83.266620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.266620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.266620 (E_RNA)
where:
Base-Base interactions energy: -32.750
where: short stacking energy: -32.750
Base-Backbone interact. energy: 0.029
local terms energy: -50.546187
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -4.207
tors. eta vs tors. theta energy: -5.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -80.997335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.997335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.997335 (E_RNA)
where:
Base-Base interactions energy: -36.073
where: short stacking energy: -27.952
Base-Backbone interact. energy: -0.230
local terms energy: -44.694959
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.385
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -1.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -128.554848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.554848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.554848 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -35.874
Base-Backbone interact. energy: 0.174
local terms energy: -48.664234
where:
bonds (distance) C4'-P energy: -10.944
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -6.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -231.638322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.638322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.638322 (E_RNA)
where:
Base-Base interactions energy: -153.810
where: short stacking energy: -75.981
Base-Backbone interact. energy: -0.580
local terms energy: -77.248741
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -16.235
flat angles P-C4'-P energy: -9.701
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: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -224.114389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.114389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.114389 (E_RNA)
where:
Base-Base interactions energy: -143.623
where: short stacking energy: -74.238
Base-Backbone interact. energy: 0.342
local terms energy: -80.833870
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -13.127
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: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -206.318353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.318353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.318353 (E_RNA)
where:
Base-Base interactions energy: -137.629
where: short stacking energy: -64.369
Base-Backbone interact. energy: -1.279
local terms energy: -67.410590
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -9.737
flat angles C4'-P-C4' energy: -13.640
flat angles P-C4'-P energy: -11.468
tors. eta vs tors. theta energy: -15.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -193.826518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.826518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.826518 (E_RNA)
where:
Base-Base interactions energy: -117.338
where: short stacking energy: -69.135
Base-Backbone interact. energy: -0.008
local terms energy: -76.480439
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -16.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -197.302859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.302859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.302859 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -60.827
Base-Backbone interact. energy: -0.242
local terms energy: -68.160155
where:
bonds (distance) C4'-P energy: -15.038
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -8.219
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -19.426
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: 1
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -172.169461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.169461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.169461 (E_RNA)
where:
Base-Base interactions energy: -107.738
where: short stacking energy: -53.234
Base-Backbone interact. energy: -0.106
local terms energy: -64.325265
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -7.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -105.573152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.573152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.573152 (E_RNA)
where:
Base-Base interactions energy: -67.154
where: short stacking energy: -34.315
Base-Backbone interact. energy: -0.363
local terms energy: -38.056495
where:
bonds (distance) C4'-P energy: -4.365
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -5.729
flat angles P-C4'-P energy: -4.559
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -97.787613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.787613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.787613 (E_RNA)
where:
Base-Base interactions energy: -47.669
where: short stacking energy: -43.260
Base-Backbone interact. energy: 0.278
local terms energy: -50.396665
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -12.197
flat angles C4'-P-C4' energy: -11.780
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -4.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -106.504905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.504905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.504905 (E_RNA)
where:
Base-Base interactions energy: -55.331
where: short stacking energy: -32.014
Base-Backbone interact. energy: 0.362
local terms energy: -51.536042
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -9.507
flat angles P-C4'-P energy: -9.568
tors. eta vs tors. theta energy: -3.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -73.549691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.549691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.549691 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -33.401
Base-Backbone interact. energy: -0.085
local terms energy: -35.491485
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -7.198
flat angles C4'-P-C4' energy: -7.609
flat angles P-C4'-P energy: -2.616
tors. eta vs tors. theta energy: -4.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -232.500517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.500517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.500517 (E_RNA)
where:
Base-Base interactions energy: -158.157
where: short stacking energy: -72.328
Base-Backbone interact. energy: -0.641
local terms energy: -73.701722
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -10.883
tors. eta vs tors. theta energy: -17.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -225.884843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.884843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.884843 (E_RNA)
where:
Base-Base interactions energy: -148.689
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.058
local terms energy: -77.137740
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -20.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -225.907134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.907134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.907134 (E_RNA)
where:
Base-Base interactions energy: -148.959
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.082
local terms energy: -76.865645
where:
bonds (distance) C4'-P energy: -12.350
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -12.881
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -21.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -191.383858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.383858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.383858 (E_RNA)
where:
Base-Base interactions energy: -127.517
where: short stacking energy: -59.589
Base-Backbone interact. energy: -0.012
local terms energy: -63.855234
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -14.531
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -14.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -183.481370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.481370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.481370 (E_RNA)
where:
Base-Base interactions energy: -112.870
where: short stacking energy: -56.197
Base-Backbone interact. energy: 0.840
local terms energy: -71.451175
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -13.527
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -178.022693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.022693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.022693 (E_RNA)
where:
Base-Base interactions energy: -113.445
where: short stacking energy: -51.520
Base-Backbone interact. energy: -0.102
local terms energy: -64.476068
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -9.813
tors. eta vs tors. theta energy: -15.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -97.232813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.232813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.232813 (E_RNA)
where:
Base-Base interactions energy: -44.482
where: short stacking energy: -29.898
Base-Backbone interact. energy: 2.791
local terms energy: -55.541667
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.346
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -82.221842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.221842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.221842 (E_RNA)
where:
Base-Base interactions energy: -27.470
where: short stacking energy: -27.770
Base-Backbone interact. energy: -0.157
local terms energy: -54.595095
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -12.367
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -0.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -77.438188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.438188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.438188 (E_RNA)
where:
Base-Base interactions energy: -25.930
where: short stacking energy: -19.191
Base-Backbone interact. energy: 0.373
local terms energy: -51.881364
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -13.830
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -1.199
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: 4
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -73.363446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.363446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.363446 (E_RNA)
where:
Base-Base interactions energy: -24.833
where: short stacking energy: -24.833
Base-Backbone interact. energy: -0.156
local terms energy: -48.374466
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -11.193
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -225.599621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.599621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.599621 (E_RNA)
where:
Base-Base interactions energy: -153.034
where: short stacking energy: -70.485
Base-Backbone interact. energy: -0.406
local terms energy: -72.159029
where:
bonds (distance) C4'-P energy: -16.616
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -20.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -216.754315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.754315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.754315 (E_RNA)
where:
Base-Base interactions energy: -142.231
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.005
local terms energy: -74.518340
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -10.629
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -21.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -205.756414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.756414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.756414 (E_RNA)
where:
Base-Base interactions energy: -138.067
where: short stacking energy: -59.765
Base-Backbone interact. energy: -0.158
local terms energy: -67.531765
where:
bonds (distance) C4'-P energy: -11.279
bonds (distance) P-C4' energy: -12.387
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -10.776
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: 6
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -182.917062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.917062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.917062 (E_RNA)
where:
Base-Base interactions energy: -115.431
where: short stacking energy: -58.175
Base-Backbone interact. energy: -0.123
local terms energy: -67.363005
where:
bonds (distance) C4'-P energy: -9.525
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -12.867
tors. eta vs tors. theta energy: -17.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -177.145252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.145252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.145252 (E_RNA)
where:
Base-Base interactions energy: -113.993
where: short stacking energy: -56.642
Base-Backbone interact. energy: -0.319
local terms energy: -62.834093
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: -12.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -175.810189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.810189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.810189 (E_RNA)
where:
Base-Base interactions energy: -107.433
where: short stacking energy: -51.115
Base-Backbone interact. energy: -0.083
local terms energy: -68.293753
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -9.520
tors. eta vs tors. theta energy: -13.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -92.882420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.882420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.882420 (E_RNA)
where:
Base-Base interactions energy: -36.436
where: short stacking energy: -35.778
Base-Backbone interact. energy: -0.030
local terms energy: -56.416638
where:
bonds (distance) C4'-P energy: -8.812
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -7.712
tors. eta vs tors. theta energy: -10.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -116.663525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.663525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.663525 (E_RNA)
where:
Base-Base interactions energy: -62.979
where: short stacking energy: -29.632
Base-Backbone interact. energy: 0.154
local terms energy: -53.838368
where:
bonds (distance) C4'-P energy: -10.513
bonds (distance) P-C4' energy: -12.713
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -12.653
tors. eta vs tors. theta energy: -1.193
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: 4
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -76.260494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.260494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.260494 (E_RNA)
where:
Base-Base interactions energy: -19.564
where: short stacking energy: -18.942
Base-Backbone interact. energy: -0.183
local terms energy: -56.513241
where:
bonds (distance) C4'-P energy: -16.520
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -9.948
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: 10, replica: 8
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -79.957961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.957961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.957961 (E_RNA)
where:
Base-Base interactions energy: -29.361
where: short stacking energy: -28.025
Base-Backbone interact. energy: -0.250
local terms energy: -50.347010
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -11.461
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -1.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -230.956767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.956767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.956767 (E_RNA)
where:
Base-Base interactions energy: -152.164
where: short stacking energy: -74.595
Base-Backbone interact. energy: -0.042
local terms energy: -78.750091
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -18.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -227.225774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.225774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.225774 (E_RNA)
where:
Base-Base interactions energy: -151.133
where: short stacking energy: -77.846
Base-Backbone interact. energy: -0.575
local terms energy: -75.518515
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -9.961
tors. eta vs tors. theta energy: -21.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -217.454205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.454205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.454205 (E_RNA)
where:
Base-Base interactions energy: -145.168
where: short stacking energy: -73.411
Base-Backbone interact. energy: -0.034
local terms energy: -72.252682
where:
bonds (distance) C4'-P energy: -13.564
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -185.690400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.690400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.690400 (E_RNA)
where:
Base-Base interactions energy: -112.702
where: short stacking energy: -50.351
Base-Backbone interact. energy: -0.202
local terms energy: -72.786158
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.803
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -186.847394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.847394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.847394 (E_RNA)
where:
Base-Base interactions energy: -116.500
where: short stacking energy: -61.878
Base-Backbone interact. energy: -0.087
local terms energy: -70.260771
where:
bonds (distance) C4'-P energy: -10.555
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.172
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -17.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -174.721443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.721443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.721443 (E_RNA)
where:
Base-Base interactions energy: -112.650
where: short stacking energy: -47.484
Base-Backbone interact. energy: -0.092
local terms energy: -61.979140
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -4.579
tors. eta vs tors. theta energy: -10.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -90.994121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.994121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.994121 (E_RNA)
where:
Base-Base interactions energy: -35.787
where: short stacking energy: -32.766
Base-Backbone interact. energy: -1.009
local terms energy: -54.198395
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -6.852
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -9.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -98.462280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.462280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.462280 (E_RNA)
where:
Base-Base interactions energy: -64.943
where: short stacking energy: -33.980
Base-Backbone interact. energy: 0.446
local terms energy: -33.964625
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -5.548
flat angles C4'-P-C4' energy: -8.576
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -2.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -135.356684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.356684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.356684 (E_RNA)
where:
Base-Base interactions energy: -73.060
where: short stacking energy: -38.210
Base-Backbone interact. energy: -0.001
local terms energy: -62.295659
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.870
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -10.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -76.929724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.929724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.929724 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -22.086
Base-Backbone interact. energy: -0.349
local terms energy: -40.239454
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -15.274
flat angles C4'-P-C4' energy: -8.859
flat angles P-C4'-P energy: -6.358
tors. eta vs tors. theta energy: 1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -230.603427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.603427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.603427 (E_RNA)
where:
Base-Base interactions energy: -154.942
where: short stacking energy: -78.810
Base-Backbone interact. energy: -0.001
local terms energy: -75.659885
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -13.358
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -22.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -230.807491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.807491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.807491 (E_RNA)
where:
Base-Base interactions energy: -150.644
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.002
local terms energy: -80.161044
where:
bonds (distance) C4'-P energy: -14.893
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -19.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -227.414786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.414786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.414786 (E_RNA)
where:
Base-Base interactions energy: -156.377
where: short stacking energy: -78.075
Base-Backbone interact. energy: -0.324
local terms energy: -70.713718
where:
bonds (distance) C4'-P energy: -11.333
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -7.424
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: 4, replica: 1
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -187.521783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.521783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.521783 (E_RNA)
where:
Base-Base interactions energy: -116.739
where: short stacking energy: -57.020
Base-Backbone interact. energy: -0.070
local terms energy: -70.712755
where:
bonds (distance) C4'-P energy: -14.148
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -186.024978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.024978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.024978 (E_RNA)
where:
Base-Base interactions energy: -123.206
where: short stacking energy: -46.474
Base-Backbone interact. energy: -0.108
local terms energy: -62.710816
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -14.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -173.620546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.620546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.620546 (E_RNA)
where:
Base-Base interactions energy: -110.591
where: short stacking energy: -54.275
Base-Backbone interact. energy: -0.001
local terms energy: -63.028639
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -11.467
flat angles C4'-P-C4' energy: -14.655
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -14.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -106.641858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.641858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.641858 (E_RNA)
where:
Base-Base interactions energy: -50.592
where: short stacking energy: -18.449
Base-Backbone interact. energy: -1.029
local terms energy: -55.020867
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -16.410
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -93.646616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.646616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.646616 (E_RNA)
where:
Base-Base interactions energy: -40.668
where: short stacking energy: -36.164
Base-Backbone interact. energy: -0.151
local terms energy: -52.827968
where:
bonds (distance) C4'-P energy: -11.813
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -2.832
tors. eta vs tors. theta energy: -6.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -139.824502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.824502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.824502 (E_RNA)
where:
Base-Base interactions energy: -85.347
where: short stacking energy: -47.127
Base-Backbone interact. energy: 0.009
local terms energy: -54.486481
where:
bonds (distance) C4'-P energy: -7.326
bonds (distance) P-C4' energy: -12.268
flat angles C4'-P-C4' energy: -14.611
flat angles P-C4'-P energy: -10.382
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: 10, replica: 8
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -74.655092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.655092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.655092 (E_RNA)
where:
Base-Base interactions energy: -22.788
where: short stacking energy: -22.788
Base-Backbone interact. energy: -0.026
local terms energy: -51.841571
where:
bonds (distance) C4'-P energy: -10.796
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -14.752
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -8.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -235.349417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.349417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.349417 (E_RNA)
where:
Base-Base interactions energy: -153.686
where: short stacking energy: -77.611
Base-Backbone interact. energy: -0.492
local terms energy: -81.172120
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.316
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: 2, replica: 10
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -206.007979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.007979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.007979 (E_RNA)
where:
Base-Base interactions energy: -133.572
where: short stacking energy: -68.518
Base-Backbone interact. energy: -2.379
local terms energy: -70.056721
where:
bonds (distance) C4'-P energy: -14.256
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.245
tors. eta vs tors. theta energy: -14.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -222.744827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.744827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.744827 (E_RNA)
where:
Base-Base interactions energy: -147.772
where: short stacking energy: -67.827
Base-Backbone interact. energy: -0.202
local terms energy: -74.770556
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -189.970258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.970258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.970258 (E_RNA)
where:
Base-Base interactions energy: -123.211
where: short stacking energy: -51.965
Base-Backbone interact. energy: -0.865
local terms energy: -65.894620
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -180.632067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.632067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.632067 (E_RNA)
where:
Base-Base interactions energy: -115.293
where: short stacking energy: -45.076
Base-Backbone interact. energy: -0.056
local terms energy: -65.282922
where:
bonds (distance) C4'-P energy: -15.684
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -8.444
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: 6
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -186.251384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.251384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.251384 (E_RNA)
where:
Base-Base interactions energy: -117.318
where: short stacking energy: -61.556
Base-Backbone interact. energy: -0.002
local terms energy: -68.931731
where:
bonds (distance) C4'-P energy: -13.378
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -12.048
flat angles P-C4'-P energy: -8.062
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: 7, replica: 4
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -93.944458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.944458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.944458 (E_RNA)
where:
Base-Base interactions energy: -33.128
where: short stacking energy: -32.791
Base-Backbone interact. energy: -0.005
local terms energy: -60.811648
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.174
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -7.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -123.144642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.144642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.144642 (E_RNA)
where:
Base-Base interactions energy: -72.783
where: short stacking energy: -44.550
Base-Backbone interact. energy: -0.211
local terms energy: -50.150068
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -7.330
tors. eta vs tors. theta energy: -4.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -79.315835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.315835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.315835 (E_RNA)
where:
Base-Base interactions energy: -42.282
where: short stacking energy: -19.002
Base-Backbone interact. energy: 0.094
local terms energy: -37.127852
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -13.804
flat angles C4'-P-C4' energy: -6.225
flat angles P-C4'-P energy: -8.374
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: 8
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -80.342193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.342193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.342193 (E_RNA)
where:
Base-Base interactions energy: -34.652
where: short stacking energy: -29.846
Base-Backbone interact. energy: -0.071
local terms energy: -45.619404
where:
bonds (distance) C4'-P energy: -13.635
bonds (distance) P-C4' energy: -6.498
flat angles C4'-P-C4' energy: -10.904
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -237.886022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.886022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.886022 (E_RNA)
where:
Base-Base interactions energy: -154.128
where: short stacking energy: -65.621
Base-Backbone interact. energy: -0.007
local terms energy: -83.751213
where:
bonds (distance) C4'-P energy: -17.692
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -12.809
flat angles P-C4'-P energy: -12.661
tors. eta vs tors. theta energy: -23.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -216.266673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.266673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.266673 (E_RNA)
where:
Base-Base interactions energy: -143.552
where: short stacking energy: -69.501
Base-Backbone interact. energy: -0.538
local terms energy: -72.176753
where:
bonds (distance) C4'-P energy: -12.161
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -14.664
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -221.934583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.934583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.934583 (E_RNA)
where:
Base-Base interactions energy: -152.642
where: short stacking energy: -66.507
Base-Backbone interact. energy: -0.652
local terms energy: -68.640399
where:
bonds (distance) C4'-P energy: -18.528
bonds (distance) P-C4' energy: -13.393
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -188.537549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.537549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.537549 (E_RNA)
where:
Base-Base interactions energy: -134.880
where: short stacking energy: -48.736
Base-Backbone interact. energy: -0.447
local terms energy: -53.210678
where:
bonds (distance) C4'-P energy: -13.166
bonds (distance) P-C4' energy: -8.305
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -8.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -191.119252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.119252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.119252 (E_RNA)
where:
Base-Base interactions energy: -130.078
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.008
local terms energy: -61.033098
where:
bonds (distance) C4'-P energy: -4.994
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -11.319
flat angles P-C4'-P energy: -6.324
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -183.851154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.851154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.851154 (E_RNA)
where:
Base-Base interactions energy: -114.088
where: short stacking energy: -51.395
Base-Backbone interact. energy: 0.524
local terms energy: -70.287806
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -10.717
tors. eta vs tors. theta energy: -15.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -130.045105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.045105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.045105 (E_RNA)
where:
Base-Base interactions energy: -77.000
where: short stacking energy: -41.868
Base-Backbone interact. energy: -0.035
local terms energy: -53.009915
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -10.107
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -6.348
tors. eta vs tors. theta energy: -7.457
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: 4
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -98.533207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.533207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.533207 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -37.109
Base-Backbone interact. energy: -0.071
local terms energy: -59.100178
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -75.732229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.732229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.732229 (E_RNA)
where:
Base-Base interactions energy: -27.564
where: short stacking energy: -27.564
Base-Backbone interact. energy: -0.073
local terms energy: -48.095160
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -10.211
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -5.904
tors. eta vs tors. theta energy: -5.035
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: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -72.152417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.152417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.152417 (E_RNA)
where:
Base-Base interactions energy: -26.919
where: short stacking energy: -27.695
Base-Backbone interact. energy: -0.166
local terms energy: -45.067332
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -7.065
flat angles P-C4'-P energy: -7.542
tors. eta vs tors. theta energy: -2.569
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: 7
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -227.029109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.029109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.029109 (E_RNA)
where:
Base-Base interactions energy: -149.387
where: short stacking energy: -70.649
Base-Backbone interact. energy: -0.332
local terms energy: -77.309640
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -10.555
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: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -226.723940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.723940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.723940 (E_RNA)
where:
Base-Base interactions energy: -157.300
where: short stacking energy: -69.166
Base-Backbone interact. energy: -0.074
local terms energy: -69.350176
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -11.294
tors. eta vs tors. theta energy: -16.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -218.323129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.323129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.323129 (E_RNA)
where:
Base-Base interactions energy: -139.170
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.249
local terms energy: -78.904376
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -11.764
tors. eta vs tors. theta energy: -20.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -202.041746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.041746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.041746 (E_RNA)
where:
Base-Base interactions energy: -135.955
where: short stacking energy: -53.486
Base-Backbone interact. energy: -0.347
local terms energy: -65.739163
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -7.691
tors. eta vs tors. theta energy: -10.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -185.183081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.183081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.183081 (E_RNA)
where:
Base-Base interactions energy: -117.770
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.421
local terms energy: -66.992407
where:
bonds (distance) C4'-P energy: -12.016
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -15.908
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -19.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -178.049436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.049436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.049436 (E_RNA)
where:
Base-Base interactions energy: -114.175
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.480
local terms energy: -63.394211
where:
bonds (distance) C4'-P energy: -12.277
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -13.595
flat angles P-C4'-P energy: -10.161
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: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -132.576038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.576038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.576038 (E_RNA)
where:
Base-Base interactions energy: -81.731
where: short stacking energy: -48.722
Base-Backbone interact. energy: 0.043
local terms energy: -50.888017
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -8.064
flat angles P-C4'-P energy: -5.711
tors. eta vs tors. theta energy: -6.649
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: 8
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -103.845164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.845164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.845164 (E_RNA)
where:
Base-Base interactions energy: -52.126
where: short stacking energy: -21.228
Base-Backbone interact. energy: -0.225
local terms energy: -51.494074
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -15.271
flat angles P-C4'-P energy: -6.755
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -79.267689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.267689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.267689 (E_RNA)
where:
Base-Base interactions energy: -23.385
where: short stacking energy: -21.178
Base-Backbone interact. energy: -0.049
local terms energy: -55.834254
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -13.003
flat angles C4'-P-C4' energy: -13.609
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -6.433
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: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -73.517286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.517286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.517286 (E_RNA)
where:
Base-Base interactions energy: -26.895
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.582
local terms energy: -46.040054
where:
bonds (distance) C4'-P energy: -12.645
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -0.757
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: 2
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -230.424013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.424013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.424013 (E_RNA)
where:
Base-Base interactions energy: -152.761
where: short stacking energy: -76.917
Base-Backbone interact. energy: -0.000
local terms energy: -77.662966
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -20.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -219.761232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.761232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.761232 (E_RNA)
where:
Base-Base interactions energy: -152.361
where: short stacking energy: -70.807
Base-Backbone interact. energy: -0.593
local terms energy: -66.808010
where:
bonds (distance) C4'-P energy: -11.084
bonds (distance) P-C4' energy: -13.570
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: -17.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -228.967956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.967956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.967956 (E_RNA)
where:
Base-Base interactions energy: -149.543
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.301
local terms energy: -79.124036
where:
bonds (distance) C4'-P energy: -12.873
bonds (distance) P-C4' energy: -15.596
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -12.886
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: 4, replica: 5
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -189.936245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.936245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.936245 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -52.721
Base-Backbone interact. energy: -0.415
local terms energy: -56.646629
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -8.794
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.728
tors. eta vs tors. theta energy: -10.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -191.954414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.954414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.954414 (E_RNA)
where:
Base-Base interactions energy: -125.125
where: short stacking energy: -59.840
Base-Backbone interact. energy: -0.050
local terms energy: -66.779121
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -12.780
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -15.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -184.760657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.760657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.760657 (E_RNA)
where:
Base-Base interactions energy: -114.948
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.035
local terms energy: -69.777981
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.893
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -132.345081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.345081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.345081 (E_RNA)
where:
Base-Base interactions energy: -80.132
where: short stacking energy: -31.922
Base-Backbone interact. energy: 0.975
local terms energy: -53.187965
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -16.938
flat angles P-C4'-P energy: -6.646
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: 8, replica: 9
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -119.162843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.162843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.162843 (E_RNA)
where:
Base-Base interactions energy: -78.486
where: short stacking energy: -38.039
Base-Backbone interact. energy: 0.233
local terms energy: -40.909784
where:
bonds (distance) C4'-P energy: -8.331
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -9.149
flat angles P-C4'-P energy: -0.812
tors. eta vs tors. theta energy: -6.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -82.753275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.753275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.753275 (E_RNA)
where:
Base-Base interactions energy: -33.822
where: short stacking energy: -30.238
Base-Backbone interact. energy: -0.176
local terms energy: -48.755671
where:
bonds (distance) C4'-P energy: -11.238
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -9.087
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -4.110
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: 10, replica: 3
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -84.025007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.025007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.025007 (E_RNA)
where:
Base-Base interactions energy: -34.893
where: short stacking energy: -26.142
Base-Backbone interact. energy: -0.684
local terms energy: -48.448164
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -18.433
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -4.629
tors. eta vs tors. theta energy: -1.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -225.557737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.557737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.557737 (E_RNA)
where:
Base-Base interactions energy: -150.665
where: short stacking energy: -73.023
Base-Backbone interact. energy: 0.338
local terms energy: -75.230742
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -15.004
flat angles P-C4'-P energy: -12.030
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: 2, replica: 10
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -224.902598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.902598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.902598 (E_RNA)
where:
Base-Base interactions energy: -154.771
where: short stacking energy: -74.986
Base-Backbone interact. energy: 0.011
local terms energy: -70.142604
where:
bonds (distance) C4'-P energy: -11.765
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -15.886
flat angles P-C4'-P energy: -7.209
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: 3, replica: 7
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -222.292866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.292866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.292866 (E_RNA)
where:
Base-Base interactions energy: -144.392
where: short stacking energy: -73.501
Base-Backbone interact. energy: -0.006
local terms energy: -77.894451
where:
bonds (distance) C4'-P energy: -13.308
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -17.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -188.958112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.958112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.958112 (E_RNA)
where:
Base-Base interactions energy: -129.904
where: short stacking energy: -60.926
Base-Backbone interact. energy: -0.262
local terms energy: -58.791454
where:
bonds (distance) C4'-P energy: -9.080
bonds (distance) P-C4' energy: -9.729
flat angles C4'-P-C4' energy: -16.996
flat angles P-C4'-P energy: -7.872
tors. eta vs tors. theta energy: -15.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -190.673975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.673975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.673975 (E_RNA)
where:
Base-Base interactions energy: -129.799
where: short stacking energy: -51.556
Base-Backbone interact. energy: -0.029
local terms energy: -60.846095
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -13.902
flat angles P-C4'-P energy: -8.921
tors. eta vs tors. theta energy: -11.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -179.980329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.980329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.980329 (E_RNA)
where:
Base-Base interactions energy: -105.464
where: short stacking energy: -50.659
Base-Backbone interact. energy: -0.095
local terms energy: -74.421317
where:
bonds (distance) C4'-P energy: -15.241
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -8.254
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: 7, replica: 8
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -131.233312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.233312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.233312 (E_RNA)
where:
Base-Base interactions energy: -75.518
where: short stacking energy: -43.007
Base-Backbone interact. energy: 1.682
local terms energy: -57.397711
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -16.633
flat angles C4'-P-C4' energy: -11.422
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -5.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -95.427639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.427639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.427639 (E_RNA)
where:
Base-Base interactions energy: -43.434
where: short stacking energy: -43.247
Base-Backbone interact. energy: -0.007
local terms energy: -51.986645
where:
bonds (distance) C4'-P energy: -12.988
bonds (distance) P-C4' energy: -11.085
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -3.944
tors. eta vs tors. theta energy: -7.452
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: 415
Temperature: 1.300000
Total energy: -78.396173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.396173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.396173 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -23.874
Base-Backbone interact. energy: -0.439
local terms energy: -49.728342
where:
bonds (distance) C4'-P energy: -6.366
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -3.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -78.482750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.482750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.482750 (E_RNA)
where:
Base-Base interactions energy: -30.990
where: short stacking energy: -24.946
Base-Backbone interact. energy: 0.786
local terms energy: -48.278561
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -8.202
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -1.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -220.038045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.038045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.038045 (E_RNA)
where:
Base-Base interactions energy: -145.264
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.003
local terms energy: -74.771188
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -11.429
flat angles C4'-P-C4' energy: -19.083
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -18.446
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: 10
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -230.165427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.165427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.165427 (E_RNA)
where:
Base-Base interactions energy: -153.514
where: short stacking energy: -70.387
Base-Backbone interact. energy: -0.014
local terms energy: -76.636978
where:
bonds (distance) C4'-P energy: -18.366
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -7.690
tors. eta vs tors. theta energy: -19.978
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: 7
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -216.208732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.208732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.208732 (E_RNA)
where:
Base-Base interactions energy: -147.380
where: short stacking energy: -67.024
Base-Backbone interact. energy: -0.005
local terms energy: -68.823737
where:
bonds (distance) C4'-P energy: -9.975
bonds (distance) P-C4' energy: -14.470
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -10.304
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: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -204.982485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.982485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.982485 (E_RNA)
where:
Base-Base interactions energy: -131.030
where: short stacking energy: -56.050
Base-Backbone interact. energy: -0.090
local terms energy: -73.862135
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -16.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -174.915233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.915233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.915233 (E_RNA)
where:
Base-Base interactions energy: -112.784
where: short stacking energy: -53.012
Base-Backbone interact. energy: -0.079
local terms energy: -62.051993
where:
bonds (distance) C4'-P energy: -10.685
bonds (distance) P-C4' energy: -13.995
flat angles C4'-P-C4' energy: -14.262
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -14.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -172.337253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.337253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.337253 (E_RNA)
where:
Base-Base interactions energy: -111.506
where: short stacking energy: -55.468
Base-Backbone interact. energy: -0.047
local terms energy: -60.784672
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -9.378
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -6.991
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: 7, replica: 8
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -117.228100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.228100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.228100 (E_RNA)
where:
Base-Base interactions energy: -65.523
where: short stacking energy: -36.810
Base-Backbone interact. energy: 0.141
local terms energy: -51.845823
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -6.694
tors. eta vs tors. theta energy: -2.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -83.422556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.422556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.422556 (E_RNA)
where:
Base-Base interactions energy: -30.039
where: short stacking energy: -29.991
Base-Backbone interact. energy: -0.205
local terms energy: -53.178559
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -14.631
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -10.785
tors. eta vs tors. theta energy: -5.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -88.652891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.652891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.652891 (E_RNA)
where:
Base-Base interactions energy: -33.907
where: short stacking energy: -29.596
Base-Backbone interact. energy: -0.163
local terms energy: -54.583490
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: 0.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -85.674082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.674082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.674082 (E_RNA)
where:
Base-Base interactions energy: -36.099
where: short stacking energy: -33.358
Base-Backbone interact. energy: -0.320
local terms energy: -49.254583
where:
bonds (distance) C4'-P energy: -11.504
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -8.924
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -5.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -229.466487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.466487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.466487 (E_RNA)
where:
Base-Base interactions energy: -155.225
where: short stacking energy: -72.094
Base-Backbone interact. energy: -0.043
local terms energy: -74.198633
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -226.664567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.664567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.664567 (E_RNA)
where:
Base-Base interactions energy: -150.500
where: short stacking energy: -69.915
Base-Backbone interact. energy: -0.157
local terms energy: -76.007049
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -11.631
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -20.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -213.140721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.140721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.140721 (E_RNA)
where:
Base-Base interactions energy: -137.560
where: short stacking energy: -71.887
Base-Backbone interact. energy: -0.114
local terms energy: -75.467095
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.961
flat angles P-C4'-P energy: -11.840
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: 1
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -195.453292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.453292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.453292 (E_RNA)
where:
Base-Base interactions energy: -125.326
where: short stacking energy: -57.572
Base-Backbone interact. energy: -0.001
local terms energy: -70.126965
where:
bonds (distance) C4'-P energy: -15.037
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -9.967
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: 6
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -179.243769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.243769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.243769 (E_RNA)
where:
Base-Base interactions energy: -118.192
where: short stacking energy: -51.186
Base-Backbone interact. energy: -0.157
local terms energy: -60.894097
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -14.738
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -10.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -181.168940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.168940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.168940 (E_RNA)
where:
Base-Base interactions energy: -116.833
where: short stacking energy: -58.589
Base-Backbone interact. energy: -0.045
local terms energy: -64.290447
where:
bonds (distance) C4'-P energy: -12.666
bonds (distance) P-C4' energy: -10.460
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -13.003
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: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -128.259627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.259627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.259627 (E_RNA)
where:
Base-Base interactions energy: -81.617
where: short stacking energy: -48.633
Base-Backbone interact. energy: -0.123
local terms energy: -46.520102
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -8.375
flat angles P-C4'-P energy: -4.451
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: 8, replica: 3
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -104.113357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.113357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.113357 (E_RNA)
where:
Base-Base interactions energy: -46.329
where: short stacking energy: -33.951
Base-Backbone interact. energy: -0.170
local terms energy: -57.613748
where:
bonds (distance) C4'-P energy: -6.554
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.598
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: 9, replica: 4
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -82.509708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.509708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.509708 (E_RNA)
where:
Base-Base interactions energy: -33.119
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.160
local terms energy: -49.230756
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -8.639
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -3.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -82.903278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.903278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.903278 (E_RNA)
where:
Base-Base interactions energy: -30.645
where: short stacking energy: -23.871
Base-Backbone interact. energy: -0.125
local terms energy: -52.132814
where:
bonds (distance) C4'-P energy: -9.826
bonds (distance) P-C4' energy: -12.245
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -6.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -224.899423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.899423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.899423 (E_RNA)
where:
Base-Base interactions energy: -149.182
where: short stacking energy: -71.150
Base-Backbone interact. energy: 1.105
local terms energy: -76.822371
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: -21.558
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: 418
Temperature: 0.950000
Total energy: -223.476769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.476769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.476769 (E_RNA)
where:
Base-Base interactions energy: -152.159
where: short stacking energy: -74.070
Base-Backbone interact. energy: -0.031
local terms energy: -71.287438
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -20.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -193.775918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.775918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.775918 (E_RNA)
where:
Base-Base interactions energy: -125.315
where: short stacking energy: -51.892
Base-Backbone interact. energy: -0.232
local terms energy: -68.229052
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -9.552
tors. eta vs tors. theta energy: -13.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -221.083902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.083902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.083902 (E_RNA)
where:
Base-Base interactions energy: -147.804
where: short stacking energy: -63.798
Base-Backbone interact. energy: -0.035
local terms energy: -73.244162
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -21.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -183.197992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.197992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.197992 (E_RNA)
where:
Base-Base interactions energy: -118.874
where: short stacking energy: -56.623
Base-Backbone interact. energy: -0.035
local terms energy: -64.288422
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -9.979
tors. eta vs tors. theta energy: -15.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -184.930271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.930271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.930271 (E_RNA)
where:
Base-Base interactions energy: -121.102
where: short stacking energy: -57.297
Base-Backbone interact. energy: 0.969
local terms energy: -64.797541
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -16.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -137.875538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.875538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.875538 (E_RNA)
where:
Base-Base interactions energy: -85.061
where: short stacking energy: -34.833
Base-Backbone interact. energy: -0.160
local terms energy: -52.654534
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -8.643
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -9.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -83.460811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.460811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.460811 (E_RNA)
where:
Base-Base interactions energy: -31.616
where: short stacking energy: -28.964
Base-Backbone interact. energy: -0.303
local terms energy: -51.541752
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -13.513
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -0.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -100.328099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.328099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.328099 (E_RNA)
where:
Base-Base interactions energy: -46.990
where: short stacking energy: -17.749
Base-Backbone interact. energy: -0.055
local terms energy: -53.282962
where:
bonds (distance) C4'-P energy: -12.483
bonds (distance) P-C4' energy: -14.626
flat angles C4'-P-C4' energy: -13.427
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -92.294897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.294897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.294897 (E_RNA)
where:
Base-Base interactions energy: -36.726
where: short stacking energy: -35.265
Base-Backbone interact. energy: 2.005
local terms energy: -57.573625
where:
bonds (distance) C4'-P energy: -11.121
bonds (distance) P-C4' energy: -13.168
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -7.453
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: 10
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -227.785664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.785664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.785664 (E_RNA)
where:
Base-Base interactions energy: -144.412
where: short stacking energy: -66.057
Base-Backbone interact. energy: -0.466
local terms energy: -82.908112
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -12.723
tors. eta vs tors. theta energy: -21.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -226.931855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.931855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.931855 (E_RNA)
where:
Base-Base interactions energy: -156.139
where: short stacking energy: -69.427
Base-Backbone interact. energy: -0.001
local terms energy: -70.791678
where:
bonds (distance) C4'-P energy: -8.148
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -7.885
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -190.697979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697979 (E_RNA)
where:
Base-Base interactions energy: -128.640
where: short stacking energy: -54.892
Base-Backbone interact. energy: -0.108
local terms energy: -61.949961
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -11.607
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -9.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -216.237601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.237601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.237601 (E_RNA)
where:
Base-Base interactions energy: -142.447
where: short stacking energy: -60.895
Base-Backbone interact. energy: -0.043
local terms energy: -73.747534
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -11.114
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: 5, replica: 6
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -175.569731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.569731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.569731 (E_RNA)
where:
Base-Base interactions energy: -109.923
where: short stacking energy: -52.731
Base-Backbone interact. energy: -0.233
local terms energy: -65.414346
where:
bonds (distance) C4'-P energy: -9.970
bonds (distance) P-C4' energy: -17.041
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -10.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -175.674831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.674831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.674831 (E_RNA)
where:
Base-Base interactions energy: -117.026
where: short stacking energy: -57.018
Base-Backbone interact. energy: 1.529
local terms energy: -60.178158
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -9.069
tors. eta vs tors. theta energy: -12.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -164.208386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.208386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.208386 (E_RNA)
where:
Base-Base interactions energy: -104.357
where: short stacking energy: -47.913
Base-Backbone interact. energy: -0.101
local terms energy: -59.750401
where:
bonds (distance) C4'-P energy: -5.087
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -15.357
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -12.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -93.287692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.287692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.287692 (E_RNA)
where:
Base-Base interactions energy: -34.062
where: short stacking energy: -33.137
Base-Backbone interact. energy: -0.114
local terms energy: -59.111652
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -8.358
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: 3
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -92.089411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.089411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.089411 (E_RNA)
where:
Base-Base interactions energy: -43.721
where: short stacking energy: -34.016
Base-Backbone interact. energy: -0.337
local terms energy: -48.030673
where:
bonds (distance) C4'-P energy: -14.719
bonds (distance) P-C4' energy: -12.055
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -6.948
tors. eta vs tors. theta energy: -2.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -80.651965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.651965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.651965 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -23.002
Base-Backbone interact. energy: -0.122
local terms energy: -43.767969
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -14.138
flat angles C4'-P-C4' energy: -12.020
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 1.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -229.025837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.025837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.025837 (E_RNA)
where:
Base-Base interactions energy: -158.005
where: short stacking energy: -70.934
Base-Backbone interact. energy: 0.017
local terms energy: -71.038015
where:
bonds (distance) C4'-P energy: -11.077
bonds (distance) P-C4' energy: -13.605
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -13.199
tors. eta vs tors. theta energy: -19.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -229.760293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.760293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.760293 (E_RNA)
where:
Base-Base interactions energy: -157.534
where: short stacking energy: -75.726
Base-Backbone interact. energy: -0.005
local terms energy: -72.221507
where:
bonds (distance) C4'-P energy: -13.784
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -18.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -222.709048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.709048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.709048 (E_RNA)
where:
Base-Base interactions energy: -146.311
where: short stacking energy: -65.280
Base-Backbone interact. energy: -0.283
local terms energy: -76.115439
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -12.894
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.470
tors. eta vs tors. theta energy: -22.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -186.136742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.136742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.136742 (E_RNA)
where:
Base-Base interactions energy: -118.663
where: short stacking energy: -53.206
Base-Backbone interact. energy: 0.450
local terms energy: -67.924578
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -12.570
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: 5
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -190.062270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.062270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.062270 (E_RNA)
where:
Base-Base interactions energy: -123.733
where: short stacking energy: -59.273
Base-Backbone interact. energy: -0.788
local terms energy: -65.541465
where:
bonds (distance) C4'-P energy: -9.043
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -14.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -179.292819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.292819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.292819 (E_RNA)
where:
Base-Base interactions energy: -122.105
where: short stacking energy: -51.384
Base-Backbone interact. energy: -0.161
local terms energy: -57.027748
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -13.612
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -9.170
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: 8
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -173.020734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.020734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.020734 (E_RNA)
where:
Base-Base interactions energy: -115.813
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.505
local terms energy: -56.702980
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -13.106
flat angles P-C4'-P energy: -4.545
tors. eta vs tors. theta energy: -13.099
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: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -88.479957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.479957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.479957 (E_RNA)
where:
Base-Base interactions energy: -39.728
where: short stacking energy: -26.084
Base-Backbone interact. energy: -0.049
local terms energy: -48.702169
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -5.853
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: 9, replica: 4
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -82.472566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.472566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.472566 (E_RNA)
where:
Base-Base interactions energy: -31.295
where: short stacking energy: -26.376
Base-Backbone interact. energy: -0.166
local terms energy: -51.011817
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -13.731
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -8.181
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -81.229495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.229495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.229495 (E_RNA)
where:
Base-Base interactions energy: -27.014
where: short stacking energy: -26.175
Base-Backbone interact. energy: -0.125
local terms energy: -54.090600
where:
bonds (distance) C4'-P energy: -12.020
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -3.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -230.047425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.047425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.047425 (E_RNA)
where:
Base-Base interactions energy: -155.350
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.131
local terms energy: -74.566247
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -11.439
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: 7
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -236.420201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.420201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.420201 (E_RNA)
where:
Base-Base interactions energy: -155.729
where: short stacking energy: -78.919
Base-Backbone interact. energy: -0.002
local terms energy: -80.689325
where:
bonds (distance) C4'-P energy: -15.783
bonds (distance) P-C4' energy: -12.905
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -12.704
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: 10
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -216.269332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.269332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.269332 (E_RNA)
where:
Base-Base interactions energy: -147.885
where: short stacking energy: -73.065
Base-Backbone interact. energy: -0.001
local terms energy: -68.383719
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -12.571
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -8.074
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: 4, replica: 5
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -185.917496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.917496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.917496 (E_RNA)
where:
Base-Base interactions energy: -124.879
where: short stacking energy: -61.907
Base-Backbone interact. energy: -0.009
local terms energy: -61.029506
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -11.579
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -8.193
tors. eta vs tors. theta energy: -12.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -185.768783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.768783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.768783 (E_RNA)
where:
Base-Base interactions energy: -115.853
where: short stacking energy: -66.468
Base-Backbone interact. energy: -0.005
local terms energy: -69.911494
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -10.044
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -17.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -183.306155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.306155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.306155 (E_RNA)
where:
Base-Base interactions energy: -129.745
where: short stacking energy: -39.643
Base-Backbone interact. energy: -0.081
local terms energy: -53.479547
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -9.630
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: 7, replica: 6
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -173.823143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.823143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.823143 (E_RNA)
where:
Base-Base interactions energy: -114.403
where: short stacking energy: -52.427
Base-Backbone interact. energy: 0.087
local terms energy: -59.506975
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -8.970
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -12.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -82.555603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.555603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.555603 (E_RNA)
where:
Base-Base interactions energy: -27.898
where: short stacking energy: -27.898
Base-Backbone interact. energy: -0.748
local terms energy: -53.909176
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: 0.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -95.687608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.687608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.687608 (E_RNA)
where:
Base-Base interactions energy: -42.763
where: short stacking energy: -39.938
Base-Backbone interact. energy: -0.076
local terms energy: -52.848453
where:
bonds (distance) C4'-P energy: -9.465
bonds (distance) P-C4' energy: -13.420
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -8.063
tors. eta vs tors. theta energy: -11.409
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: 10, replica: 3
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -83.905801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.905801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.905801 (E_RNA)
where:
Base-Base interactions energy: -28.760
where: short stacking energy: -22.611
Base-Backbone interact. energy: 0.251
local terms energy: -55.396933
where:
bonds (distance) C4'-P energy: -16.057
bonds (distance) P-C4' energy: -8.175
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -8.388
tors. eta vs tors. theta energy: -6.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -234.664465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.664465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.664465 (E_RNA)
where:
Base-Base interactions energy: -156.113
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.008
local terms energy: -78.543016
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -222.678485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.678485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.678485 (E_RNA)
where:
Base-Base interactions energy: -151.399
where: short stacking energy: -63.754
Base-Backbone interact. energy: -0.023
local terms energy: -71.257139
where:
bonds (distance) C4'-P energy: -11.531
bonds (distance) P-C4' energy: -15.790
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -14.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -226.040434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.040434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.040434 (E_RNA)
where:
Base-Base interactions energy: -148.141
where: short stacking energy: -74.172
Base-Backbone interact. energy: -0.002
local terms energy: -77.897305
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -13.592
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -22.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -189.298410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.298410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.298410 (E_RNA)
where:
Base-Base interactions energy: -123.641
where: short stacking energy: -68.878
Base-Backbone interact. energy: -0.328
local terms energy: -65.330030
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -18.261
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: 5, replica: 8
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -185.058626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.058626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.058626 (E_RNA)
where:
Base-Base interactions energy: -122.529
where: short stacking energy: -61.218
Base-Backbone interact. energy: -0.012
local terms energy: -62.517687
where:
bonds (distance) C4'-P energy: -17.299
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -5.002
tors. eta vs tors. theta energy: -13.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -185.280401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.280401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.280401 (E_RNA)
where:
Base-Base interactions energy: -112.904
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.020
local terms energy: -72.355900
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -16.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -170.532556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.532556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.532556 (E_RNA)
where:
Base-Base interactions energy: -118.036
where: short stacking energy: -54.293
Base-Backbone interact. energy: -0.135
local terms energy: -52.361179
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -8.995
flat angles C4'-P-C4' energy: -12.006
flat angles P-C4'-P energy: -2.476
tors. eta vs tors. theta energy: -12.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -82.678397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.678397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.678397 (E_RNA)
where:
Base-Base interactions energy: -33.916
where: short stacking energy: -30.663
Base-Backbone interact. energy: -0.128
local terms energy: -48.633757
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.751
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -3.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.301238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.301238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.301238 (E_RNA)
where:
Base-Base interactions energy: -39.166
where: short stacking energy: -33.436
Base-Backbone interact. energy: -0.440
local terms energy: -44.695360
where:
bonds (distance) C4'-P energy: -14.885
bonds (distance) P-C4' energy: -9.871
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -2.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -82.770557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.770557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.770557 (E_RNA)
where:
Base-Base interactions energy: -31.474
where: short stacking energy: -31.474
Base-Backbone interact. energy: 0.072
local terms energy: -51.367709
where:
bonds (distance) C4'-P energy: -13.726
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -12.872
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -5.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -232.415166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.415166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.415166 (E_RNA)
where:
Base-Base interactions energy: -145.899
where: short stacking energy: -71.003
Base-Backbone interact. energy: -0.444
local terms energy: -86.072473
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -23.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -223.240187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.240187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.240187 (E_RNA)
where:
Base-Base interactions energy: -149.431
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.660
local terms energy: -73.148987
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -11.112
flat angles P-C4'-P energy: -12.577
tors. eta vs tors. theta energy: -17.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -225.191641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.191641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.191641 (E_RNA)
where:
Base-Base interactions energy: -147.476
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.050
local terms energy: -77.666260
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -21.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -188.681710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.681710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.681710 (E_RNA)
where:
Base-Base interactions energy: -121.062
where: short stacking energy: -53.604
Base-Backbone interact. energy: -0.046
local terms energy: -67.573529
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -13.901
flat angles P-C4'-P energy: -10.899
tors. eta vs tors. theta energy: -13.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -183.346331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.346331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.346331 (E_RNA)
where:
Base-Base interactions energy: -116.858
where: short stacking energy: -54.398
Base-Backbone interact. energy: -0.003
local terms energy: -66.485130
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -171.477780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.477780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.477780 (E_RNA)
where:
Base-Base interactions energy: -121.256
where: short stacking energy: -41.611
Base-Backbone interact. energy: -0.649
local terms energy: -49.573177
where:
bonds (distance) C4'-P energy: -7.565
bonds (distance) P-C4' energy: -12.439
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -6.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -170.806258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.806258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.806258 (E_RNA)
where:
Base-Base interactions energy: -104.329
where: short stacking energy: -52.978
Base-Backbone interact. energy: 0.249
local terms energy: -66.726044
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -94.892651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.892651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.892651 (E_RNA)
where:
Base-Base interactions energy: -40.152
where: short stacking energy: -35.343
Base-Backbone interact. energy: -0.167
local terms energy: -54.573042
where:
bonds (distance) C4'-P energy: -15.204
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -4.721
tors. eta vs tors. theta energy: -10.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -82.213644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.213644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.213644 (E_RNA)
where:
Base-Base interactions energy: -38.237
where: short stacking energy: -37.008
Base-Backbone interact. energy: -0.104
local terms energy: -43.872456
where:
bonds (distance) C4'-P energy: -9.658
bonds (distance) P-C4' energy: -11.189
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -2.594
tors. eta vs tors. theta energy: -8.242
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: 4
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -72.681966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.681966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.681966 (E_RNA)
where:
Base-Base interactions energy: -26.079
where: short stacking energy: -26.079
Base-Backbone interact. energy: -0.027
local terms energy: -46.575106
where:
bonds (distance) C4'-P energy: -10.269
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -6.682
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: 1, replica: 10
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -228.653403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.653403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.653403 (E_RNA)
where:
Base-Base interactions energy: -147.215
where: short stacking energy: -68.844
Base-Backbone interact. energy: -0.618
local terms energy: -80.819971
where:
bonds (distance) C4'-P energy: -16.682
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -11.661
tors. eta vs tors. theta energy: -19.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -225.179125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.179125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.179125 (E_RNA)
where:
Base-Base interactions energy: -146.514
where: short stacking energy: -76.127
Base-Backbone interact. energy: -0.010
local terms energy: -78.655371
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -229.871237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.871237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.871237 (E_RNA)
where:
Base-Base interactions energy: -153.934
where: short stacking energy: -76.653
Base-Backbone interact. energy: -0.081
local terms energy: -75.856339
where:
bonds (distance) C4'-P energy: -13.592
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -185.455187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.455187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.455187 (E_RNA)
where:
Base-Base interactions energy: -110.741
where: short stacking energy: -46.642
Base-Backbone interact. energy: 0.275
local terms energy: -74.988935
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.443
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: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -185.749469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.749469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.749469 (E_RNA)
where:
Base-Base interactions energy: -125.049
where: short stacking energy: -56.765
Base-Backbone interact. energy: -0.098
local terms energy: -60.603091
where:
bonds (distance) C4'-P energy: -13.064
bonds (distance) P-C4' energy: -9.083
flat angles C4'-P-C4' energy: -14.236
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -12.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -177.528272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.528272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.528272 (E_RNA)
where:
Base-Base interactions energy: -109.956
where: short stacking energy: -52.406
Base-Backbone interact. energy: -0.525
local terms energy: -67.047649
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -15.290
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -9.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -171.213405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.213405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.213405 (E_RNA)
where:
Base-Base interactions energy: -100.501
where: short stacking energy: -47.452
Base-Backbone interact. energy: -0.022
local terms energy: -70.690179
where:
bonds (distance) C4'-P energy: -12.434
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.601
flat angles P-C4'-P energy: -10.480
tors. eta vs tors. theta energy: -13.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -90.501205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.501205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.501205 (E_RNA)
where:
Base-Base interactions energy: -34.631
where: short stacking energy: -34.631
Base-Backbone interact. energy: 0.681
local terms energy: -56.551256
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -4.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -77.834428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.834428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.834428 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -23.071
Base-Backbone interact. energy: 0.143
local terms energy: -50.454815
where:
bonds (distance) C4'-P energy: -13.718
bonds (distance) P-C4' energy: -12.719
flat angles C4'-P-C4' energy: -11.171
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -81.524205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524205 (E_RNA)
where:
Base-Base interactions energy: -36.218
where: short stacking energy: -35.839
Base-Backbone interact. energy: -0.506
local terms energy: -44.800677
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -7.344
flat angles C4'-P-C4' energy: -11.178
flat angles P-C4'-P energy: -5.807
tors. eta vs tors. theta energy: -9.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -230.873184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.873184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.873184 (E_RNA)
where:
Base-Base interactions energy: -149.025
where: short stacking energy: -71.998
Base-Backbone interact. energy: -0.010
local terms energy: -81.837946
where:
bonds (distance) C4'-P energy: -13.204
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -217.383955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.383955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.383955 (E_RNA)
where:
Base-Base interactions energy: -140.816
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.053
local terms energy: -76.514941
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -20.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -221.097159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.097159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.097159 (E_RNA)
where:
Base-Base interactions energy: -145.210
where: short stacking energy: -79.874
Base-Backbone interact. energy: -0.034
local terms energy: -75.853499
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -10.093
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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -193.705705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.705705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.705705 (E_RNA)
where:
Base-Base interactions energy: -123.876
where: short stacking energy: -59.952
Base-Backbone interact. energy: -0.002
local terms energy: -69.827617
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -10.945
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: 8
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -178.481966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.481966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.481966 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -55.884
Base-Backbone interact. energy: -0.192
local terms energy: -57.332434
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -11.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -176.133322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.133322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.133322 (E_RNA)
where:
Base-Base interactions energy: -112.791
where: short stacking energy: -51.538
Base-Backbone interact. energy: -0.484
local terms energy: -62.858010
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -173.569669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.569669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.569669 (E_RNA)
where:
Base-Base interactions energy: -120.381
where: short stacking energy: -55.300
Base-Backbone interact. energy: 1.282
local terms energy: -54.470187
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -13.960
flat angles P-C4'-P energy: -0.661
tors. eta vs tors. theta energy: -13.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -88.087187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.087187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.087187 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -27.215
Base-Backbone interact. energy: -0.411
local terms energy: -51.654811
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -14.129
flat angles C4'-P-C4' energy: -12.072
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -0.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -81.835663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.835663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.835663 (E_RNA)
where:
Base-Base interactions energy: -29.237
where: short stacking energy: -29.237
Base-Backbone interact. energy: -0.078
local terms energy: -52.520734
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -13.013
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -5.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -74.008072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.008072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.008072 (E_RNA)
where:
Base-Base interactions energy: -30.878
where: short stacking energy: -23.331
Base-Backbone interact. energy: -0.019
local terms energy: -43.110785
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -9.158
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -2.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -228.407755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.407755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.407755 (E_RNA)
where:
Base-Base interactions energy: -143.814
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.023
local terms energy: -84.569973
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -17.481
flat angles P-C4'-P energy: -11.835
tors. eta vs tors. theta energy: -21.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -221.261334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.261334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.261334 (E_RNA)
where:
Base-Base interactions energy: -141.819
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.009
local terms energy: -79.433116
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -10.745
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: 7
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -221.850217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.850217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.850217 (E_RNA)
where:
Base-Base interactions energy: -148.383
where: short stacking energy: -73.867
Base-Backbone interact. energy: 0.048
local terms energy: -73.515272
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -14.490
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -7.611
tors. eta vs tors. theta energy: -21.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -188.582601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.582601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.582601 (E_RNA)
where:
Base-Base interactions energy: -119.255
where: short stacking energy: -55.190
Base-Backbone interact. energy: 0.447
local terms energy: -69.774672
where:
bonds (distance) C4'-P energy: -15.618
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.681
flat angles P-C4'-P energy: -13.100
tors. eta vs tors. theta energy: -12.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -184.932610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.932610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.932610 (E_RNA)
where:
Base-Base interactions energy: -115.696
where: short stacking energy: -45.972
Base-Backbone interact. energy: -0.154
local terms energy: -69.082329
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -16.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -175.706997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.706997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.706997 (E_RNA)
where:
Base-Base interactions energy: -117.883
where: short stacking energy: -49.566
Base-Backbone interact. energy: -0.267
local terms energy: -57.556704
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -9.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -95.487714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.487714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.487714 (E_RNA)
where:
Base-Base interactions energy: -38.444
where: short stacking energy: -29.146
Base-Backbone interact. energy: -0.256
local terms energy: -56.787743
where:
bonds (distance) C4'-P energy: -18.172
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -5.831
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: 8, replica: 6
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -168.526697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.526697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.526697 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -54.339
Base-Backbone interact. energy: 1.450
local terms energy: -56.857822
where:
bonds (distance) C4'-P energy: -10.091
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -12.900
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -9.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -86.448891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.448891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.448891 (E_RNA)
where:
Base-Base interactions energy: -36.764
where: short stacking energy: -28.396
Base-Backbone interact. energy: -0.355
local terms energy: -49.329572
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -10.432
flat angles P-C4'-P energy: -8.964
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: 426
Temperature: 1.350000
Total energy: -76.092586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.092586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.092586 (E_RNA)
where:
Base-Base interactions energy: -25.030
where: short stacking energy: -21.291
Base-Backbone interact. energy: -0.057
local terms energy: -51.005576
where:
bonds (distance) C4'-P energy: -9.868
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -13.269
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -3.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -227.785588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.785588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.785588 (E_RNA)
where:
Base-Base interactions energy: -155.997
where: short stacking energy: -72.558
Base-Backbone interact. energy: 1.219
local terms energy: -73.008003
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -11.596
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -222.584698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.584698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.584698 (E_RNA)
where:
Base-Base interactions energy: -146.780
where: short stacking energy: -63.782
Base-Backbone interact. energy: -0.414
local terms energy: -75.391009
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -214.575062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.575062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.575062 (E_RNA)
where:
Base-Base interactions energy: -148.908
where: short stacking energy: -69.366
Base-Backbone interact. energy: 0.809
local terms energy: -66.476702
where:
bonds (distance) C4'-P energy: -7.540
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -10.082
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -199.182565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.182565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.182565 (E_RNA)
where:
Base-Base interactions energy: -131.521
where: short stacking energy: -60.297
Base-Backbone interact. energy: -0.007
local terms energy: -67.654640
where:
bonds (distance) C4'-P energy: -11.377
bonds (distance) P-C4' energy: -16.228
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -9.772
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: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -182.944815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.944815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.944815 (E_RNA)
where:
Base-Base interactions energy: -120.374
where: short stacking energy: -54.038
Base-Backbone interact. energy: -0.043
local terms energy: -62.527920
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -8.187
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -13.099
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: 8
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -178.094218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.094218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.094218 (E_RNA)
where:
Base-Base interactions energy: -118.537
where: short stacking energy: -57.066
Base-Backbone interact. energy: -0.233
local terms energy: -59.323892
where:
bonds (distance) C4'-P energy: -12.344
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -10.889
flat angles P-C4'-P energy: -6.793
tors. eta vs tors. theta energy: -12.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -97.209579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.209579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.209579 (E_RNA)
where:
Base-Base interactions energy: -43.935
where: short stacking energy: -31.481
Base-Backbone interact. energy: 1.551
local terms energy: -54.825044
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -16.069
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -3.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -158.800489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.800489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.800489 (E_RNA)
where:
Base-Base interactions energy: -100.473
where: short stacking energy: -40.857
Base-Backbone interact. energy: -0.298
local terms energy: -58.030048
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -11.223
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -14.089
tors. eta vs tors. theta energy: -5.128
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: 9, replica: 3
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -87.757985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.757985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.757985 (E_RNA)
where:
Base-Base interactions energy: -33.145
where: short stacking energy: -29.458
Base-Backbone interact. energy: -0.120
local terms energy: -54.493051
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -8.533
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -79.387988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.387988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.387988 (E_RNA)
where:
Base-Base interactions energy: -29.767
where: short stacking energy: -28.908
Base-Backbone interact. energy: -0.143
local terms energy: -49.478597
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.902
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: 10
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -229.859287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.859287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.859287 (E_RNA)
where:
Base-Base interactions energy: -149.808
where: short stacking energy: -73.168
Base-Backbone interact. energy: -0.002
local terms energy: -80.049189
where:
bonds (distance) C4'-P energy: -17.150
bonds (distance) P-C4' energy: -16.976
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -8.702
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -226.363365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.363365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.363365 (E_RNA)
where:
Base-Base interactions energy: -153.084
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.510
local terms energy: -72.768836
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -19.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -196.357204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.357204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.357204 (E_RNA)
where:
Base-Base interactions energy: -124.197
where: short stacking energy: -61.092
Base-Backbone interact. energy: -0.000
local terms energy: -72.159842
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.722
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -219.716440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.716440 (E_RNA)
where:
Base-Base interactions energy: -138.785
where: short stacking energy: -65.888
Base-Backbone interact. energy: -0.004
local terms energy: -80.927589
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -9.444
tors. eta vs tors. theta energy: -21.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -183.789411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.789411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.789411 (E_RNA)
where:
Base-Base interactions energy: -117.531
where: short stacking energy: -49.649
Base-Backbone interact. energy: -0.083
local terms energy: -66.175754
where:
bonds (distance) C4'-P energy: -15.908
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -7.697
tors. eta vs tors. theta energy: -13.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -181.765170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.765170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.765170 (E_RNA)
where:
Base-Base interactions energy: -115.741
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.004
local terms energy: -66.020488
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -4.737
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -168.065536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.065536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.065536 (E_RNA)
where:
Base-Base interactions energy: -105.510
where: short stacking energy: -57.455
Base-Backbone interact. energy: -0.549
local terms energy: -62.006272
where:
bonds (distance) C4'-P energy: -11.023
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -14.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -83.541860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.541860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.541860 (E_RNA)
where:
Base-Base interactions energy: -28.201
where: short stacking energy: -28.201
Base-Backbone interact. energy: -0.144
local terms energy: -55.196429
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -9.472
tors. eta vs tors. theta energy: 0.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.321602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.321602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.321602 (E_RNA)
where:
Base-Base interactions energy: -27.509
where: short stacking energy: -23.289
Base-Backbone interact. energy: -0.850
local terms energy: -56.961811
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -6.447
tors. eta vs tors. theta energy: -5.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -78.189103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.189103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.189103 (E_RNA)
where:
Base-Base interactions energy: -26.244
where: short stacking energy: -19.572
Base-Backbone interact. energy: -0.102
local terms energy: -51.842283
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -2.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -231.829672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.829672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.829672 (E_RNA)
where:
Base-Base interactions energy: -154.841
where: short stacking energy: -71.508
Base-Backbone interact. energy: 0.177
local terms energy: -77.165913
where:
bonds (distance) C4'-P energy: -15.808
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -20.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -218.137825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.137825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.137825 (E_RNA)
where:
Base-Base interactions energy: -144.903
where: short stacking energy: -67.918
Base-Backbone interact. energy: -0.777
local terms energy: -72.457871
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -219.311380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.311380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.311380 (E_RNA)
where:
Base-Base interactions energy: -141.673
where: short stacking energy: -68.392
Base-Backbone interact. energy: -0.677
local terms energy: -76.961784
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -9.789
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: 4, replica: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -221.746516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.746516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.746516 (E_RNA)
where:
Base-Base interactions energy: -146.121
where: short stacking energy: -69.089
Base-Backbone interact. energy: -0.007
local terms energy: -75.618164
where:
bonds (distance) C4'-P energy: -10.082
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -19.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -184.672263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.672263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.672263 (E_RNA)
where:
Base-Base interactions energy: -120.339
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.102
local terms energy: -64.231294
where:
bonds (distance) C4'-P energy: -15.236
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -11.952
flat angles P-C4'-P energy: -8.445
tors. eta vs tors. theta energy: -13.794
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: 6, replica: 8
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -178.806442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.806442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.806442 (E_RNA)
where:
Base-Base interactions energy: -121.787
where: short stacking energy: -50.681
Base-Backbone interact. energy: 0.830
local terms energy: -57.850315
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -9.432
flat angles C4'-P-C4' energy: -13.060
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -12.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -182.781629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.781629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.781629 (E_RNA)
where:
Base-Base interactions energy: -122.746
where: short stacking energy: -54.590
Base-Backbone interact. energy: 1.439
local terms energy: -61.474676
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -11.871
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -104.130189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.130189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.130189 (E_RNA)
where:
Base-Base interactions energy: -59.223
where: short stacking energy: -25.180
Base-Backbone interact. energy: -1.078
local terms energy: -43.829009
where:
bonds (distance) C4'-P energy: -11.122
bonds (distance) P-C4' energy: -9.045
flat angles C4'-P-C4' energy: -10.485
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -4.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -94.096462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.096462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.096462 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -29.751
Base-Backbone interact. energy: -0.291
local terms energy: -47.162049
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -10.679
flat angles P-C4'-P energy: -6.505
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: 10, replica: 9
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -73.753446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.753446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.753446 (E_RNA)
where:
Base-Base interactions energy: -29.142
where: short stacking energy: -20.590
Base-Backbone interact. energy: -0.232
local terms energy: -44.380144
where:
bonds (distance) C4'-P energy: -8.176
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -2.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -230.936232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.936232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.936232 (E_RNA)
where:
Base-Base interactions energy: -155.439
where: short stacking energy: -74.641
Base-Backbone interact. energy: -0.026
local terms energy: -75.471565
where:
bonds (distance) C4'-P energy: -9.254
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -22.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -200.095285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.095285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.095285 (E_RNA)
where:
Base-Base interactions energy: -126.714
where: short stacking energy: -70.001
Base-Backbone interact. energy: -0.051
local terms energy: -73.331016
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -18.278
flat angles P-C4'-P energy: -8.505
tors. eta vs tors. theta energy: -18.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -218.552535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.552535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.552535 (E_RNA)
where:
Base-Base interactions energy: -144.050
where: short stacking energy: -71.834
Base-Backbone interact. energy: -0.100
local terms energy: -74.403434
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -19.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -211.071871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.071871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.071871 (E_RNA)
where:
Base-Base interactions energy: -134.943
where: short stacking energy: -60.796
Base-Backbone interact. energy: -0.224
local terms energy: -75.904777
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -9.901
tors. eta vs tors. theta energy: -17.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -194.096997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.096997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.096997 (E_RNA)
where:
Base-Base interactions energy: -129.377
where: short stacking energy: -49.938
Base-Backbone interact. energy: -0.103
local terms energy: -64.617222
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -12.952
flat angles C4'-P-C4' energy: -11.540
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -12.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -172.038852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.038852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.038852 (E_RNA)
where:
Base-Base interactions energy: -106.645
where: short stacking energy: -47.430
Base-Backbone interact. energy: -0.001
local terms energy: -65.393006
where:
bonds (distance) C4'-P energy: -14.368
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -9.559
flat angles P-C4'-P energy: -8.602
tors. eta vs tors. theta energy: -15.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -167.150234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.150234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.150234 (E_RNA)
where:
Base-Base interactions energy: -115.258
where: short stacking energy: -37.557
Base-Backbone interact. energy: -0.090
local terms energy: -51.801617
where:
bonds (distance) C4'-P energy: -10.178
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -8.827
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -6.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -79.069356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.069356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.069356 (E_RNA)
where:
Base-Base interactions energy: -36.711
where: short stacking energy: -16.786
Base-Backbone interact. energy: -0.621
local terms energy: -41.736779
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -10.495
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: 5.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -81.823003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.823003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.823003 (E_RNA)
where:
Base-Base interactions energy: -37.073
where: short stacking energy: -37.073
Base-Backbone interact. energy: -0.024
local terms energy: -44.725614
where:
bonds (distance) C4'-P energy: -8.340
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -9.717
flat angles P-C4'-P energy: -8.163
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: 10, replica: 4
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -94.165137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.165137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.165137 (E_RNA)
where:
Base-Base interactions energy: -45.956
where: short stacking energy: -27.064
Base-Backbone interact. energy: -0.185
local terms energy: -48.024108
where:
bonds (distance) C4'-P energy: -15.883
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -6.891
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -2.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -235.797320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.797320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.797320 (E_RNA)
where:
Base-Base interactions energy: -155.138
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.041
local terms energy: -80.617653
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -13.941
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -22.546
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: 2
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -228.214921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.214921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.214921 (E_RNA)
where:
Base-Base interactions energy: -156.412
where: short stacking energy: -67.526
Base-Backbone interact. energy: -0.089
local terms energy: -71.713796
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -13.298
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: -17.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -191.959128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.959128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.959128 (E_RNA)
where:
Base-Base interactions energy: -119.680
where: short stacking energy: -60.665
Base-Backbone interact. energy: -1.220
local terms energy: -71.058385
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -17.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -222.138799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.138799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.138799 (E_RNA)
where:
Base-Base interactions energy: -142.246
where: short stacking energy: -72.597
Base-Backbone interact. energy: -0.013
local terms energy: -79.880250
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -180.969644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.969644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.969644 (E_RNA)
where:
Base-Base interactions energy: -116.885
where: short stacking energy: -51.381
Base-Backbone interact. energy: -0.155
local terms energy: -63.929491
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -9.583
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -12.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -164.706000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.706000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.706000 (E_RNA)
where:
Base-Base interactions energy: -104.425
where: short stacking energy: -48.576
Base-Backbone interact. energy: -0.098
local terms energy: -60.182114
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -10.374
tors. eta vs tors. theta energy: -7.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -180.906007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.906007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.906007 (E_RNA)
where:
Base-Base interactions energy: -119.128
where: short stacking energy: -55.454
Base-Backbone interact. energy: -0.009
local terms energy: -61.768950
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -8.499
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -14.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -94.187065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.187065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.187065 (E_RNA)
where:
Base-Base interactions energy: -37.420
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.001
local terms energy: -56.766719
where:
bonds (distance) C4'-P energy: -11.300
bonds (distance) P-C4' energy: -11.753
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -6.986
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: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -89.128835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128835 (E_RNA)
where:
Base-Base interactions energy: -41.160
where: short stacking energy: -31.981
Base-Backbone interact. energy: -0.099
local terms energy: -47.870194
where:
bonds (distance) C4'-P energy: -10.078
bonds (distance) P-C4' energy: -14.585
flat angles C4'-P-C4' energy: -9.718
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -3.824
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: 10, replica: 4
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -78.322281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.322281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.322281 (E_RNA)
where:
Base-Base interactions energy: -30.816
where: short stacking energy: -27.324
Base-Backbone interact. energy: 2.114
local terms energy: -49.620331
where:
bonds (distance) C4'-P energy: -12.843
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -12.065
flat angles P-C4'-P energy: -9.768
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -233.690225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.690225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.690225 (E_RNA)
where:
Base-Base interactions energy: -153.234
where: short stacking energy: -78.142
Base-Backbone interact. energy: -0.011
local terms energy: -80.445491
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -14.048
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: 10
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -225.684617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.684617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.684617 (E_RNA)
where:
Base-Base interactions energy: -144.392
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.001
local terms energy: -81.292057
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -21.025
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: 3, replica: 7
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -211.213215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.213215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.213215 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.072
local terms energy: -74.410226
where:
bonds (distance) C4'-P energy: -16.288
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -9.644
flat angles P-C4'-P energy: -11.854
tors. eta vs tors. theta energy: -19.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -183.779716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.779716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.779716 (E_RNA)
where:
Base-Base interactions energy: -114.917
where: short stacking energy: -56.375
Base-Backbone interact. energy: 0.624
local terms energy: -69.486019
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -14.623
flat angles C4'-P-C4' energy: -15.638
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -13.665
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: 6
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -194.163238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.163238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.163238 (E_RNA)
where:
Base-Base interactions energy: -130.509
where: short stacking energy: -36.802
Base-Backbone interact. energy: 0.660
local terms energy: -64.313825
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.503
flat angles C4'-P-C4' energy: -13.101
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -8.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -177.232839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.232839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.232839 (E_RNA)
where:
Base-Base interactions energy: -112.328
where: short stacking energy: -54.540
Base-Backbone interact. energy: -0.100
local terms energy: -64.804951
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -13.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -85.426225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.426225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.426225 (E_RNA)
where:
Base-Base interactions energy: -41.416
where: short stacking energy: -26.249
Base-Backbone interact. energy: 2.402
local terms energy: -46.412407
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -12.955
flat angles C4'-P-C4' energy: -8.565
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -3.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -165.440095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.440095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.440095 (E_RNA)
where:
Base-Base interactions energy: -109.028
where: short stacking energy: -52.316
Base-Backbone interact. energy: 0.410
local terms energy: -56.822323
where:
bonds (distance) C4'-P energy: -11.607
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -7.448
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: 9, replica: 3
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -90.927623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.927623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.927623 (E_RNA)
where:
Base-Base interactions energy: -38.360
where: short stacking energy: -38.360
Base-Backbone interact. energy: -0.143
local terms energy: -52.424220
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -10.875
flat angles P-C4'-P energy: -4.548
tors. eta vs tors. theta energy: -7.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -67.581160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -67.581160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -67.581160 (E_RNA)
where:
Base-Base interactions energy: -23.395
where: short stacking energy: -18.391
Base-Backbone interact. energy: 0.135
local terms energy: -44.321419
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: 4.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -234.307702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.307702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.307702 (E_RNA)
where:
Base-Base interactions energy: -152.034
where: short stacking energy: -75.862
Base-Backbone interact. energy: -0.036
local terms energy: -82.237914
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.802
tors. eta vs tors. theta energy: -20.130
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: 10
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -225.237394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.237394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.237394 (E_RNA)
where:
Base-Base interactions energy: -149.045
where: short stacking energy: -79.314
Base-Backbone interact. energy: -0.597
local terms energy: -75.595184
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -19.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -221.745211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.745211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.745211 (E_RNA)
where:
Base-Base interactions energy: -149.543
where: short stacking energy: -66.356
Base-Backbone interact. energy: -0.006
local terms energy: -72.195380
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -20.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -207.932860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.932860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.932860 (E_RNA)
where:
Base-Base interactions energy: -142.038
where: short stacking energy: -51.142
Base-Backbone interact. energy: -1.412
local terms energy: -64.482890
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -13.159
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -9.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -173.668852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.668852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.668852 (E_RNA)
where:
Base-Base interactions energy: -108.150
where: short stacking energy: -46.980
Base-Backbone interact. energy: -0.765
local terms energy: -64.754435
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -11.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -174.611729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.611729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.611729 (E_RNA)
where:
Base-Base interactions energy: -113.299
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.061
local terms energy: -61.252181
where:
bonds (distance) C4'-P energy: -15.262
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -11.052
flat angles P-C4'-P energy: -10.042
tors. eta vs tors. theta energy: -9.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -94.355106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.355106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.355106 (E_RNA)
where:
Base-Base interactions energy: -44.101
where: short stacking energy: -35.648
Base-Backbone interact. energy: -0.113
local terms energy: -50.141258
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -3.219
tors. eta vs tors. theta energy: -2.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -166.198392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.198392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.198392 (E_RNA)
where:
Base-Base interactions energy: -104.644
where: short stacking energy: -49.430
Base-Backbone interact. energy: -0.347
local terms energy: -61.206854
where:
bonds (distance) C4'-P energy: -12.913
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -15.899
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -13.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -85.897519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.897519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.897519 (E_RNA)
where:
Base-Base interactions energy: -36.100
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.088
local terms energy: -49.709023
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -0.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.679709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.679709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.679709 (E_RNA)
where:
Base-Base interactions energy: -27.308
where: short stacking energy: -22.700
Base-Backbone interact. energy: -0.100
local terms energy: -51.271773
where:
bonds (distance) C4'-P energy: -8.485
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -5.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -226.660235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.660235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.660235 (E_RNA)
where:
Base-Base interactions energy: -152.343
where: short stacking energy: -71.033
Base-Backbone interact. energy: -0.013
local terms energy: -74.303709
where:
bonds (distance) C4'-P energy: -12.380
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -7.504
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: 2, replica: 2
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -226.938614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.938614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.938614 (E_RNA)
where:
Base-Base interactions energy: -150.627
where: short stacking energy: -71.836
Base-Backbone interact. energy: -0.000
local terms energy: -76.311390
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -9.648
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -23.023
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: 3, replica: 6
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -201.777788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.777788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.777788 (E_RNA)
where:
Base-Base interactions energy: -135.845
where: short stacking energy: -47.023
Base-Backbone interact. energy: -0.216
local terms energy: -65.716947
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -11.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -196.514086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.514086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.514086 (E_RNA)
where:
Base-Base interactions energy: -128.172
where: short stacking energy: -64.496
Base-Backbone interact. energy: -0.098
local terms energy: -68.244513
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -9.258
tors. eta vs tors. theta energy: -16.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -174.721768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.721768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.721768 (E_RNA)
where:
Base-Base interactions energy: -109.892
where: short stacking energy: -53.024
Base-Backbone interact. energy: -0.451
local terms energy: -64.379327
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -7.593
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: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -187.614154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.614154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.614154 (E_RNA)
where:
Base-Base interactions energy: -124.187
where: short stacking energy: -63.152
Base-Backbone interact. energy: -0.096
local terms energy: -63.331912
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -12.279
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -3.758
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -172.647401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.647401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.647401 (E_RNA)
where:
Base-Base interactions energy: -109.153
where: short stacking energy: -51.149
Base-Backbone interact. energy: -0.012
local terms energy: -63.483203
where:
bonds (distance) C4'-P energy: -13.929
bonds (distance) P-C4' energy: -13.369
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -14.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -90.522913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.522913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.522913 (E_RNA)
where:
Base-Base interactions energy: -38.186
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.524
local terms energy: -51.813160
where:
bonds (distance) C4'-P energy: -14.077
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -4.473
tors. eta vs tors. theta energy: -3.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -94.464657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.464657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.464657 (E_RNA)
where:
Base-Base interactions energy: -49.697
where: short stacking energy: -25.221
Base-Backbone interact. energy: -0.096
local terms energy: -44.671627
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -13.067
flat angles C4'-P-C4' energy: -11.103
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -2.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -87.575253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575253 (E_RNA)
where:
Base-Base interactions energy: -47.048
where: short stacking energy: -8.143
Base-Backbone interact. energy: -0.801
local terms energy: -39.726719
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -3.921
tors. eta vs tors. theta energy: 6.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -232.203278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.203278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.203278 (E_RNA)
where:
Base-Base interactions energy: -153.600
where: short stacking energy: -79.005
Base-Backbone interact. energy: -0.052
local terms energy: -78.552143
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -19.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -230.427496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.427496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.427496 (E_RNA)
where:
Base-Base interactions energy: -153.589
where: short stacking energy: -72.943
Base-Backbone interact. energy: 1.783
local terms energy: -78.621265
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -192.226485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.226485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.226485 (E_RNA)
where:
Base-Base interactions energy: -127.188
where: short stacking energy: -58.081
Base-Backbone interact. energy: 0.466
local terms energy: -65.504091
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -16.261
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -10.172
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: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -179.669973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.669973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.669973 (E_RNA)
where:
Base-Base interactions energy: -114.277
where: short stacking energy: -52.530
Base-Backbone interact. energy: 0.326
local terms energy: -65.719005
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -10.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -192.143248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.143248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.143248 (E_RNA)
where:
Base-Base interactions energy: -127.983
where: short stacking energy: -64.987
Base-Backbone interact. energy: 0.175
local terms energy: -64.335238
where:
bonds (distance) C4'-P energy: -8.587
bonds (distance) P-C4' energy: -12.442
flat angles C4'-P-C4' energy: -11.655
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -20.840
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: 6, replica: 8
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -184.000134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.000134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.000134 (E_RNA)
where:
Base-Base interactions energy: -119.799
where: short stacking energy: -56.948
Base-Backbone interact. energy: -0.012
local terms energy: -64.189157
where:
bonds (distance) C4'-P energy: -10.505
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -11.052
tors. eta vs tors. theta energy: -12.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -183.218766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.218766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.218766 (E_RNA)
where:
Base-Base interactions energy: -115.034
where: short stacking energy: -53.725
Base-Backbone interact. energy: -0.038
local terms energy: -68.147041
where:
bonds (distance) C4'-P energy: -11.226
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -7.920
tors. eta vs tors. theta energy: -16.861
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: 3
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -90.464631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.464631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.464631 (E_RNA)
where:
Base-Base interactions energy: -46.491
where: short stacking energy: -32.474
Base-Backbone interact. energy: -0.200
local terms energy: -43.773760
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -10.336
flat angles P-C4'-P energy: 0.007
tors. eta vs tors. theta energy: -5.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -97.003681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.003681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.003681 (E_RNA)
where:
Base-Base interactions energy: -41.259
where: short stacking energy: -35.916
Base-Backbone interact. energy: -0.374
local terms energy: -55.369823
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -8.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -68.277836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -68.277836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -68.277836 (E_RNA)
where:
Base-Base interactions energy: -28.755
where: short stacking energy: -23.595
Base-Backbone interact. energy: 1.400
local terms energy: -40.922623
where:
bonds (distance) C4'-P energy: -12.019
bonds (distance) P-C4' energy: -10.918
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -7.052
tors. eta vs tors. theta energy: 0.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -227.158384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.158384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.158384 (E_RNA)
where:
Base-Base interactions energy: -152.609
where: short stacking energy: -77.426
Base-Backbone interact. energy: -0.003
local terms energy: -74.546567
where:
bonds (distance) C4'-P energy: -14.252
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -19.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -229.048488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.048488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.048488 (E_RNA)
where:
Base-Base interactions energy: -150.539
where: short stacking energy: -71.964
Base-Backbone interact. energy: 0.701
local terms energy: -79.210519
where:
bonds (distance) C4'-P energy: -14.070
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -194.921708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.921708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.921708 (E_RNA)
where:
Base-Base interactions energy: -130.018
where: short stacking energy: -68.482
Base-Backbone interact. energy: -0.007
local terms energy: -64.897342
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -6.326
tors. eta vs tors. theta energy: -12.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -188.029064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.029064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.029064 (E_RNA)
where:
Base-Base interactions energy: -116.936
where: short stacking energy: -59.019
Base-Backbone interact. energy: -0.067
local terms energy: -71.026316
where:
bonds (distance) C4'-P energy: -14.575
bonds (distance) P-C4' energy: -13.396
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -16.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -212.375171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.375171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.375171 (E_RNA)
where:
Base-Base interactions energy: -140.198
where: short stacking energy: -62.585
Base-Backbone interact. energy: -0.178
local terms energy: -71.998987
where:
bonds (distance) C4'-P energy: -11.441
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -20.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -182.124005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.124005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.124005 (E_RNA)
where:
Base-Base interactions energy: -115.097
where: short stacking energy: -49.465
Base-Backbone interact. energy: -0.056
local terms energy: -66.970906
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -11.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -174.231176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.231176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.231176 (E_RNA)
where:
Base-Base interactions energy: -115.283
where: short stacking energy: -46.738
Base-Backbone interact. energy: -0.020
local terms energy: -58.927905
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -12.212
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -13.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -76.078500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.078500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.078500 (E_RNA)
where:
Base-Base interactions energy: -21.018
where: short stacking energy: -19.511
Base-Backbone interact. energy: -0.855
local terms energy: -54.205415
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -12.634
flat angles C4'-P-C4' energy: -13.754
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: 0.619
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: 4
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -91.856411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.856411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.856411 (E_RNA)
where:
Base-Base interactions energy: -35.374
where: short stacking energy: -31.818
Base-Backbone interact. energy: -0.371
local terms energy: -56.111700
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -0.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -84.861959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861959 (E_RNA)
where:
Base-Base interactions energy: -46.378
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.459
local terms energy: -38.025500
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -9.814
flat angles C4'-P-C4' energy: -9.333
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -2.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -228.792416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.792416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.792416 (E_RNA)
where:
Base-Base interactions energy: -149.170
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.059
local terms energy: -79.563327
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -23.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -196.531034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.531034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.531034 (E_RNA)
where:
Base-Base interactions energy: -126.485
where: short stacking energy: -62.676
Base-Backbone interact. energy: -0.055
local terms energy: -69.990681
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -226.270268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.270268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.270268 (E_RNA)
where:
Base-Base interactions energy: -148.573
where: short stacking energy: -73.934
Base-Backbone interact. energy: -0.097
local terms energy: -77.600858
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -22.456
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: 437
Temperature: 1.050000
Total energy: -216.068197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.068197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.068197 (E_RNA)
where:
Base-Base interactions energy: -145.740
where: short stacking energy: -67.161
Base-Backbone interact. energy: 0.371
local terms energy: -70.699388
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -7.009
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: 6
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -192.353561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.353561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.353561 (E_RNA)
where:
Base-Base interactions energy: -126.626
where: short stacking energy: -65.710
Base-Backbone interact. energy: -0.007
local terms energy: -65.721058
where:
bonds (distance) C4'-P energy: -11.275
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -7.043
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: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -176.874008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.874008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.874008 (E_RNA)
where:
Base-Base interactions energy: -112.627
where: short stacking energy: -51.049
Base-Backbone interact. energy: 0.940
local terms energy: -65.186858
where:
bonds (distance) C4'-P energy: -13.585
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -9.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -166.168269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.168269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.168269 (E_RNA)
where:
Base-Base interactions energy: -102.531
where: short stacking energy: -31.392
Base-Backbone interact. energy: -0.711
local terms energy: -62.926137
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -12.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -83.549689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.549689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.549689 (E_RNA)
where:
Base-Base interactions energy: -42.086
where: short stacking energy: -23.661
Base-Backbone interact. energy: -0.051
local terms energy: -41.412846
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -8.696
flat angles P-C4'-P energy: -6.962
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: 9, replica: 3
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -76.365943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.365943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.365943 (E_RNA)
where:
Base-Base interactions energy: -33.192
where: short stacking energy: -12.125
Base-Backbone interact. energy: -0.245
local terms energy: -42.928806
where:
bonds (distance) C4'-P energy: -12.041
bonds (distance) P-C4' energy: -11.367
flat angles C4'-P-C4' energy: -11.523
flat angles P-C4'-P energy: -6.644
tors. eta vs tors. theta energy: -1.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -77.820767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.820767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.820767 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -25.812
Base-Backbone interact. energy: -0.390
local terms energy: -51.519719
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -0.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -228.222298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.222298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.222298 (E_RNA)
where:
Base-Base interactions energy: -151.415
where: short stacking energy: -71.764
Base-Backbone interact. energy: 0.183
local terms energy: -76.990543
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -22.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -198.444917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.444917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.444917 (E_RNA)
where:
Base-Base interactions energy: -125.251
where: short stacking energy: -64.043
Base-Backbone interact. energy: -0.004
local terms energy: -73.189785
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -17.524
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -10.483
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: 3, replica: 2
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -219.766857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.766857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.766857 (E_RNA)
where:
Base-Base interactions energy: -144.560
where: short stacking energy: -70.207
Base-Backbone interact. energy: -1.041
local terms energy: -74.166438
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -17.554
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -19.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -206.584808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.584808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.584808 (E_RNA)
where:
Base-Base interactions energy: -135.894
where: short stacking energy: -63.675
Base-Backbone interact. energy: 1.045
local terms energy: -71.735571
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.575
tors. eta vs tors. theta energy: -19.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -180.702904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.702904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.702904 (E_RNA)
where:
Base-Base interactions energy: -112.261
where: short stacking energy: -46.825
Base-Backbone interact. energy: -0.043
local terms energy: -68.398320
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -15.260
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -10.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -185.783724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.783724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.783724 (E_RNA)
where:
Base-Base interactions energy: -118.625
where: short stacking energy: -57.858
Base-Backbone interact. energy: -0.831
local terms energy: -66.328229
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -16.078
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -13.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -98.973255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.973255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.973255 (E_RNA)
where:
Base-Base interactions energy: -43.489
where: short stacking energy: -41.772
Base-Backbone interact. energy: -0.419
local terms energy: -55.064525
where:
bonds (distance) C4'-P energy: -11.164
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -6.261
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: 8, replica: 8
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -160.872987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.872987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.872987 (E_RNA)
where:
Base-Base interactions energy: -115.725
where: short stacking energy: -41.610
Base-Backbone interact. energy: -0.272
local terms energy: -44.875613
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -12.242
flat angles P-C4'-P energy: -0.979
tors. eta vs tors. theta energy: -2.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -93.686395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.686395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.686395 (E_RNA)
where:
Base-Base interactions energy: -40.187
where: short stacking energy: -31.888
Base-Backbone interact. energy: -0.198
local terms energy: -53.301232
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -10.431
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -4.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -85.058083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058083 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -40.090
Base-Backbone interact. energy: -0.012
local terms energy: -44.956180
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -9.421
flat angles P-C4'-P energy: -6.202
tors. eta vs tors. theta energy: -1.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -229.128556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.128556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.128556 (E_RNA)
where:
Base-Base interactions energy: -148.167
where: short stacking energy: -67.434
Base-Backbone interact. energy: -0.217
local terms energy: -80.744821
where:
bonds (distance) C4'-P energy: -15.039
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -20.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -226.543506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.543506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.543506 (E_RNA)
where:
Base-Base interactions energy: -148.856
where: short stacking energy: -77.679
Base-Backbone interact. energy: -0.001
local terms energy: -77.686551
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -14.240
flat angles C4'-P-C4' energy: -18.058
flat angles P-C4'-P energy: -10.858
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: 3, replica: 5
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -196.017483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.017483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.017483 (E_RNA)
where:
Base-Base interactions energy: -126.102
where: short stacking energy: -67.411
Base-Backbone interact. energy: -0.006
local terms energy: -69.909478
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -17.665
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -6.664
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -213.443554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.443554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.443554 (E_RNA)
where:
Base-Base interactions energy: -140.263
where: short stacking energy: -66.936
Base-Backbone interact. energy: -0.370
local terms energy: -72.811271
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -192.467129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.467129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.467129 (E_RNA)
where:
Base-Base interactions energy: -124.747
where: short stacking energy: -59.399
Base-Backbone interact. energy: -0.152
local terms energy: -67.567865
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.431
flat angles P-C4'-P energy: -6.999
tors. eta vs tors. theta energy: -15.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -195.530655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.530655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.530655 (E_RNA)
where:
Base-Base interactions energy: -130.808
where: short stacking energy: -56.164
Base-Backbone interact. energy: 0.841
local terms energy: -65.563316
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -10.239
flat angles P-C4'-P energy: -7.276
tors. eta vs tors. theta energy: -17.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -110.725105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.725105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.725105 (E_RNA)
where:
Base-Base interactions energy: -50.588
where: short stacking energy: -31.255
Base-Backbone interact. energy: -0.453
local terms energy: -59.683672
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -10.092
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: 8
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -162.054443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.054443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.054443 (E_RNA)
where:
Base-Base interactions energy: -112.157
where: short stacking energy: -56.520
Base-Backbone interact. energy: 0.412
local terms energy: -50.309301
where:
bonds (distance) C4'-P energy: -13.938
bonds (distance) P-C4' energy: -8.752
flat angles C4'-P-C4' energy: -11.102
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -11.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -88.698989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698989 (E_RNA)
where:
Base-Base interactions energy: -33.582
where: short stacking energy: -33.582
Base-Backbone interact. energy: -0.062
local terms energy: -55.055538
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -14.115
flat angles C4'-P-C4' energy: -11.868
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -84.602726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.602726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.602726 (E_RNA)
where:
Base-Base interactions energy: -29.629
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.043
local terms energy: -54.930641
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -15.907
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -7.877
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -224.933974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.933974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.933974 (E_RNA)
where:
Base-Base interactions energy: -150.553
where: short stacking energy: -68.490
Base-Backbone interact. energy: -0.009
local terms energy: -74.371963
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -20.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -222.987208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.987208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.987208 (E_RNA)
where:
Base-Base interactions energy: -146.452
where: short stacking energy: -77.246
Base-Backbone interact. energy: -0.059
local terms energy: -76.475847
where:
bonds (distance) C4'-P energy: -15.225
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -9.669
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: 7
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -223.513931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.513931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.513931 (E_RNA)
where:
Base-Base interactions energy: -148.335
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.135
local terms energy: -75.043097
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -176.079631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.079631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.079631 (E_RNA)
where:
Base-Base interactions energy: -111.284
where: short stacking energy: -46.559
Base-Backbone interact. energy: -0.988
local terms energy: -63.807630
where:
bonds (distance) C4'-P energy: -16.119
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -9.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -197.127718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.127718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.127718 (E_RNA)
where:
Base-Base interactions energy: -128.675
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.002
local terms energy: -68.450634
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -6.301
tors. eta vs tors. theta energy: -14.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -175.341200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.341200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.341200 (E_RNA)
where:
Base-Base interactions energy: -111.991
where: short stacking energy: -48.763
Base-Backbone interact. energy: -0.049
local terms energy: -63.301643
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -11.727
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -9.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -173.286250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.286250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.286250 (E_RNA)
where:
Base-Base interactions energy: -112.678
where: short stacking energy: -50.551
Base-Backbone interact. energy: -0.018
local terms energy: -60.589937
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -9.401
flat angles C4'-P-C4' energy: -10.793
flat angles P-C4'-P energy: -10.128
tors. eta vs tors. theta energy: -15.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -90.274239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.274239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.274239 (E_RNA)
where:
Base-Base interactions energy: -32.835
where: short stacking energy: -32.404
Base-Backbone interact. energy: -0.115
local terms energy: -57.323678
where:
bonds (distance) C4'-P energy: -10.518
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -3.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -73.693696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.693696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.693696 (E_RNA)
where:
Base-Base interactions energy: -26.664
where: short stacking energy: -20.598
Base-Backbone interact. energy: -0.395
local terms energy: -46.634501
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -0.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -80.304067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.304067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.304067 (E_RNA)
where:
Base-Base interactions energy: -30.957
where: short stacking energy: -23.322
Base-Backbone interact. energy: -0.092
local terms energy: -49.255570
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -9.229
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -2.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -234.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.660063 (E_RNA)
where:
Base-Base interactions energy: -154.077
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.000
local terms energy: -80.583225
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -13.319
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -223.915359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.915359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.915359 (E_RNA)
where:
Base-Base interactions energy: -143.628
where: short stacking energy: -64.272
Base-Backbone interact. energy: -0.063
local terms energy: -80.224547
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -17.109
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -220.675557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.675557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.675557 (E_RNA)
where:
Base-Base interactions energy: -143.699
where: short stacking energy: -75.703
Base-Backbone interact. energy: -0.156
local terms energy: -76.820417
where:
bonds (distance) C4'-P energy: -12.588
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -9.891
tors. eta vs tors. theta energy: -22.538
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: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -205.349864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.349864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.349864 (E_RNA)
where:
Base-Base interactions energy: -143.408
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.018
local terms energy: -61.923929
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -9.391
flat angles C4'-P-C4' energy: -14.661
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -181.879187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.879187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.879187 (E_RNA)
where:
Base-Base interactions energy: -121.001
where: short stacking energy: -49.864
Base-Backbone interact. energy: 1.338
local terms energy: -62.216574
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -9.661
flat angles P-C4'-P energy: -7.395
tors. eta vs tors. theta energy: -15.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -182.064495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.064495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.064495 (E_RNA)
where:
Base-Base interactions energy: -122.017
where: short stacking energy: -56.007
Base-Backbone interact. energy: -0.101
local terms energy: -59.946518
where:
bonds (distance) C4'-P energy: -8.717
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -3.841
tors. eta vs tors. theta energy: -18.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -167.028776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.028776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.028776 (E_RNA)
where:
Base-Base interactions energy: -110.507
where: short stacking energy: -52.523
Base-Backbone interact. energy: -0.145
local terms energy: -56.377141
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -7.061
tors. eta vs tors. theta energy: -9.279
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: 4
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -79.272909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.272909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.272909 (E_RNA)
where:
Base-Base interactions energy: -31.509
where: short stacking energy: -28.164
Base-Backbone interact. energy: -0.131
local terms energy: -47.632596
where:
bonds (distance) C4'-P energy: -10.683
bonds (distance) P-C4' energy: -12.154
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -3.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -76.497227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.497227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.497227 (E_RNA)
where:
Base-Base interactions energy: -26.863
where: short stacking energy: -26.863
Base-Backbone interact. energy: 0.786
local terms energy: -50.420077
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -11.196
flat angles P-C4'-P energy: -6.356
tors. eta vs tors. theta energy: 0.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -80.759529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.759529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.759529 (E_RNA)
where:
Base-Base interactions energy: -30.605
where: short stacking energy: -30.605
Base-Backbone interact. energy: -0.052
local terms energy: -50.102175
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -228.944106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.944106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.944106 (E_RNA)
where:
Base-Base interactions energy: -151.722
where: short stacking energy: -66.802
Base-Backbone interact. energy: -0.003
local terms energy: -77.218564
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -21.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -219.664248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.664248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.664248 (E_RNA)
where:
Base-Base interactions energy: -143.041
where: short stacking energy: -69.095
Base-Backbone interact. energy: 0.348
local terms energy: -76.971580
where:
bonds (distance) C4'-P energy: -11.991
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -18.879
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: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -200.601318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.601318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.601318 (E_RNA)
where:
Base-Base interactions energy: -135.353
where: short stacking energy: -63.762
Base-Backbone interact. energy: 2.005
local terms energy: -67.253340
where:
bonds (distance) C4'-P energy: -11.917
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -15.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -215.273882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.273882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.273882 (E_RNA)
where:
Base-Base interactions energy: -140.299
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.005
local terms energy: -74.970356
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.577
flat angles P-C4'-P energy: -12.569
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: 5, replica: 1
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -197.367333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.367333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.367333 (E_RNA)
where:
Base-Base interactions energy: -130.565
where: short stacking energy: -57.002
Base-Backbone interact. energy: -0.174
local terms energy: -66.629046
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -7.215
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: 6, replica: 5
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -177.906846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.906846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.906846 (E_RNA)
where:
Base-Base interactions energy: -122.415
where: short stacking energy: -49.811
Base-Backbone interact. energy: -0.026
local terms energy: -55.465731
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -10.816
flat angles C4'-P-C4' energy: -9.140
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -12.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -183.431680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.431680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.431680 (E_RNA)
where:
Base-Base interactions energy: -130.651
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.265
local terms energy: -52.515902
where:
bonds (distance) C4'-P energy: -10.778
bonds (distance) P-C4' energy: -11.283
flat angles C4'-P-C4' energy: -11.941
flat angles P-C4'-P energy: -5.287
tors. eta vs tors. theta energy: -13.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -89.641013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.641013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.641013 (E_RNA)
where:
Base-Base interactions energy: -45.367
where: short stacking energy: -26.220
Base-Backbone interact. energy: 0.485
local terms energy: -44.759175
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -11.968
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -4.784
tors. eta vs tors. theta energy: -1.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -83.255183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.255183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.255183 (E_RNA)
where:
Base-Base interactions energy: -37.402
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.052
local terms energy: -45.801229
where:
bonds (distance) C4'-P energy: -13.353
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -12.098
flat angles P-C4'-P energy: -7.179
tors. eta vs tors. theta energy: -1.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -70.619398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.619398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.619398 (E_RNA)
where:
Base-Base interactions energy: -24.791
where: short stacking energy: -22.685
Base-Backbone interact. energy: -0.129
local terms energy: -45.699471
where:
bonds (distance) C4'-P energy: -8.679
bonds (distance) P-C4' energy: -14.387
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -0.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -235.341651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.341651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.341651 (E_RNA)
where:
Base-Base interactions energy: -156.123
where: short stacking energy: -73.894
Base-Backbone interact. energy: -0.002
local terms energy: -79.216925
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -8.831
tors. eta vs tors. theta energy: -19.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -228.190900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.190900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.190900 (E_RNA)
where:
Base-Base interactions energy: -155.995
where: short stacking energy: -63.994
Base-Backbone interact. energy: -0.511
local terms energy: -71.684532
where:
bonds (distance) C4'-P energy: -12.973
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.372
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: 6
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -193.085864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.085864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.085864 (E_RNA)
where:
Base-Base interactions energy: -128.890
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.002
local terms energy: -64.194051
where:
bonds (distance) C4'-P energy: -13.523
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -10.184
tors. eta vs tors. theta energy: -11.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -211.581554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.581554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.581554 (E_RNA)
where:
Base-Base interactions energy: -151.954
where: short stacking energy: -65.363
Base-Backbone interact. energy: -0.015
local terms energy: -59.612846
where:
bonds (distance) C4'-P energy: -10.017
bonds (distance) P-C4' energy: -11.906
flat angles C4'-P-C4' energy: -15.367
flat angles P-C4'-P energy: -6.034
tors. eta vs tors. theta energy: -16.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -186.174575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.174575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.174575 (E_RNA)
where:
Base-Base interactions energy: -124.935
where: short stacking energy: -63.255
Base-Backbone interact. energy: -0.001
local terms energy: -61.238276
where:
bonds (distance) C4'-P energy: -12.637
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -13.611
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: 443
Temperature: 1.150000
Total energy: -190.737801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.737801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.737801 (E_RNA)
where:
Base-Base interactions energy: -120.955
where: short stacking energy: -60.732
Base-Backbone interact. energy: -0.016
local terms energy: -69.767335
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -15.731
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.254
tors. eta vs tors. theta energy: -17.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -178.070307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.070307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.070307 (E_RNA)
where:
Base-Base interactions energy: -114.470
where: short stacking energy: -58.143
Base-Backbone interact. energy: -0.108
local terms energy: -63.491335
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -10.572
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: 443
Temperature: 1.250000
Total energy: -113.434871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.434871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.434871 (E_RNA)
where:
Base-Base interactions energy: -70.476
where: short stacking energy: -34.804
Base-Backbone interact. energy: -0.347
local terms energy: -42.611152
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -10.899
flat angles C4'-P-C4' energy: -8.449
flat angles P-C4'-P energy: -6.762
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: 9, replica: 3
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -72.294517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.294517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.294517 (E_RNA)
where:
Base-Base interactions energy: -19.935
where: short stacking energy: -19.935
Base-Backbone interact. energy: -0.213
local terms energy: -52.146724
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -10.132
flat angles P-C4'-P energy: -8.193
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: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -96.410305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.410305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.410305 (E_RNA)
where:
Base-Base interactions energy: -57.278
where: short stacking energy: -30.574
Base-Backbone interact. energy: -0.197
local terms energy: -38.935138
where:
bonds (distance) C4'-P energy: -9.119
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -3.957
flat angles P-C4'-P energy: -11.600
tors. eta vs tors. theta energy: -0.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -230.952919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.952919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.952919 (E_RNA)
where:
Base-Base interactions energy: -149.313
where: short stacking energy: -70.601
Base-Backbone interact. energy: -0.017
local terms energy: -81.623723
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -10.605
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: 2, replica: 2
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -229.751877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.751877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.751877 (E_RNA)
where:
Base-Base interactions energy: -152.831
where: short stacking energy: -76.756
Base-Backbone interact. energy: -0.001
local terms energy: -76.920121
where:
bonds (distance) C4'-P energy: -12.633
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -9.668
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: 10
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -203.737799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.737799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.737799 (E_RNA)
where:
Base-Base interactions energy: -142.196
where: short stacking energy: -60.858
Base-Backbone interact. energy: 3.221
local terms energy: -64.762267
where:
bonds (distance) C4'-P energy: -9.790
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -17.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -185.274067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.274067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.274067 (E_RNA)
where:
Base-Base interactions energy: -114.893
where: short stacking energy: -56.549
Base-Backbone interact. energy: -0.048
local terms energy: -70.333847
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -9.755
tors. eta vs tors. theta energy: -15.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -188.264942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.264942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.264942 (E_RNA)
where:
Base-Base interactions energy: -120.871
where: short stacking energy: -58.079
Base-Backbone interact. energy: -0.011
local terms energy: -67.383305
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -10.318
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.973
tors. eta vs tors. theta energy: -14.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -186.337476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.337476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.337476 (E_RNA)
where:
Base-Base interactions energy: -125.752
where: short stacking energy: -47.358
Base-Backbone interact. energy: -0.071
local terms energy: -60.514350
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -10.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -144.570394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.570394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.570394 (E_RNA)
where:
Base-Base interactions energy: -81.457
where: short stacking energy: -51.372
Base-Backbone interact. energy: -0.152
local terms energy: -62.961174
where:
bonds (distance) C4'-P energy: -16.760
bonds (distance) P-C4' energy: -13.496
flat angles C4'-P-C4' energy: -7.984
flat angles P-C4'-P energy: -12.765
tors. eta vs tors. theta energy: -11.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -170.156891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.156891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.156891 (E_RNA)
where:
Base-Base interactions energy: -109.837
where: short stacking energy: -53.528
Base-Backbone interact. energy: -0.670
local terms energy: -59.650419
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -12.185
flat angles C4'-P-C4' energy: -14.969
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -11.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -115.808227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.808227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.808227 (E_RNA)
where:
Base-Base interactions energy: -69.182
where: short stacking energy: -39.285
Base-Backbone interact. energy: -0.092
local terms energy: -46.533713
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -15.070
flat angles P-C4'-P energy: -0.801
tors. eta vs tors. theta energy: -5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -83.286759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.286759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.286759 (E_RNA)
where:
Base-Base interactions energy: -34.366
where: short stacking energy: -28.369
Base-Backbone interact. energy: -0.055
local terms energy: -48.865342
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -234.534366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.534366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.534366 (E_RNA)
where:
Base-Base interactions energy: -156.929
where: short stacking energy: -78.922
Base-Backbone interact. energy: -0.321
local terms energy: -77.284400
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -14.371
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -230.887551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.887551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.887551 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -79.797
Base-Backbone interact. energy: -0.161
local terms energy: -75.157370
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -14.101
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -7.512
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -209.834772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.834772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.834772 (E_RNA)
where:
Base-Base interactions energy: -136.498
where: short stacking energy: -66.111
Base-Backbone interact. energy: -0.016
local terms energy: -73.321433
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.586
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -10.651
tors. eta vs tors. theta energy: -19.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -183.811076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.811076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.811076 (E_RNA)
where:
Base-Base interactions energy: -122.593
where: short stacking energy: -63.321
Base-Backbone interact. energy: 1.168
local terms energy: -62.386532
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -5.085
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -3.377
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -182.984941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.984941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.984941 (E_RNA)
where:
Base-Base interactions energy: -114.150
where: short stacking energy: -58.724
Base-Backbone interact. energy: -0.003
local terms energy: -68.832166
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -13.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -129.958428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.958428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.958428 (E_RNA)
where:
Base-Base interactions energy: -76.338
where: short stacking energy: -30.440
Base-Backbone interact. energy: -0.727
local terms energy: -52.893161
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -13.281
flat angles P-C4'-P energy: -6.588
tors. eta vs tors. theta energy: -2.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -168.652472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.652472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.652472 (E_RNA)
where:
Base-Base interactions energy: -109.476
where: short stacking energy: -44.605
Base-Backbone interact. energy: -0.337
local terms energy: -58.839841
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -9.797
flat angles P-C4'-P energy: -10.165
tors. eta vs tors. theta energy: -10.062
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: 445
Temperature: 1.250000
Total energy: -165.768567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.768567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.768567 (E_RNA)
where:
Base-Base interactions energy: -107.517
where: short stacking energy: -52.957
Base-Backbone interact. energy: -0.042
local terms energy: -58.209589
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.580
tors. eta vs tors. theta energy: -13.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -122.621108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.621108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.621108 (E_RNA)
where:
Base-Base interactions energy: -84.971
where: short stacking energy: -43.076
Base-Backbone interact. energy: -0.198
local terms energy: -37.452154
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -6.442
flat angles C4'-P-C4' energy: -7.954
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -6.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -80.643599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.643599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.643599 (E_RNA)
where:
Base-Base interactions energy: -31.682
where: short stacking energy: -21.839
Base-Backbone interact. energy: -0.218
local terms energy: -48.743786
where:
bonds (distance) C4'-P energy: -9.400
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -14.040
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: 0.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -231.703741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.703741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.703741 (E_RNA)
where:
Base-Base interactions energy: -150.778
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.122
local terms energy: -80.804155
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -20.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -223.867064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.867064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.867064 (E_RNA)
where:
Base-Base interactions energy: -139.726
where: short stacking energy: -68.906
Base-Backbone interact. energy: -0.596
local terms energy: -83.544921
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -223.863226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.863226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.863226 (E_RNA)
where:
Base-Base interactions energy: -141.648
where: short stacking energy: -70.290
Base-Backbone interact. energy: -0.008
local terms energy: -82.207433
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -13.097
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -179.432827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.432827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.432827 (E_RNA)
where:
Base-Base interactions energy: -113.968
where: short stacking energy: -56.000
Base-Backbone interact. energy: -0.011
local terms energy: -65.453084
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -9.282
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -183.352312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.352312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.352312 (E_RNA)
where:
Base-Base interactions energy: -125.741
where: short stacking energy: -56.114
Base-Backbone interact. energy: -0.288
local terms energy: -57.322775
where:
bonds (distance) C4'-P energy: -9.565
bonds (distance) P-C4' energy: -11.019
flat angles C4'-P-C4' energy: -14.909
flat angles P-C4'-P energy: -4.677
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: 6, replica: 4
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -160.256914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.256914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.256914 (E_RNA)
where:
Base-Base interactions energy: -94.141
where: short stacking energy: -50.121
Base-Backbone interact. energy: -0.015
local terms energy: -66.100817
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -10.286
tors. eta vs tors. theta energy: -10.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -165.595394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.595394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.595394 (E_RNA)
where:
Base-Base interactions energy: -105.979
where: short stacking energy: -44.991
Base-Backbone interact. energy: -0.063
local terms energy: -59.553370
where:
bonds (distance) C4'-P energy: -9.979
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -6.547
tors. eta vs tors. theta energy: -9.159
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: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -171.746778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.746778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.746778 (E_RNA)
where:
Base-Base interactions energy: -110.315
where: short stacking energy: -51.222
Base-Backbone interact. energy: 0.661
local terms energy: -62.092618
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -6.928
tors. eta vs tors. theta energy: -12.883
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: 446
Temperature: 1.300000
Total energy: -131.216508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.216508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.216508 (E_RNA)
where:
Base-Base interactions energy: -79.564
where: short stacking energy: -41.894
Base-Backbone interact. energy: -0.001
local terms energy: -51.651199
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -10.898
flat angles P-C4'-P energy: -4.294
tors. eta vs tors. theta energy: -5.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -74.297748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.297748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.297748 (E_RNA)
where:
Base-Base interactions energy: -20.709
where: short stacking energy: -21.605
Base-Backbone interact. energy: -1.086
local terms energy: -52.502591
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -12.025
flat angles P-C4'-P energy: -7.936
tors. eta vs tors. theta energy: -2.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -232.604546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.604546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.604546 (E_RNA)
where:
Base-Base interactions energy: -150.833
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.006
local terms energy: -81.765771
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -22.397
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: 2
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -228.882356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.882356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.882356 (E_RNA)
where:
Base-Base interactions energy: -153.318
where: short stacking energy: -74.907
Base-Backbone interact. energy: -0.037
local terms energy: -75.527295
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -12.694
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -22.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -222.332452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.332452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.332452 (E_RNA)
where:
Base-Base interactions energy: -150.229
where: short stacking energy: -74.749
Base-Backbone interact. energy: 0.236
local terms energy: -72.339472
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -19.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -177.429506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.429506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.429506 (E_RNA)
where:
Base-Base interactions energy: -111.408
where: short stacking energy: -39.801
Base-Backbone interact. energy: -0.232
local terms energy: -65.789717
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -11.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -184.186943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.186943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.186943 (E_RNA)
where:
Base-Base interactions energy: -117.453
where: short stacking energy: -55.430
Base-Backbone interact. energy: -0.012
local terms energy: -66.722141
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.054
tors. eta vs tors. theta energy: -13.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -175.940068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.940068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.940068 (E_RNA)
where:
Base-Base interactions energy: -120.913
where: short stacking energy: -53.916
Base-Backbone interact. energy: -0.248
local terms energy: -54.779777
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -13.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -159.784719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.784719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.784719 (E_RNA)
where:
Base-Base interactions energy: -99.876
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.059
local terms energy: -59.849433
where:
bonds (distance) C4'-P energy: -8.821
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -14.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -84.953618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.953618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.953618 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -34.316
Base-Backbone interact. energy: -0.004
local terms energy: -50.633777
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -5.575
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: 8
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -98.489523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.489523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.489523 (E_RNA)
where:
Base-Base interactions energy: -50.342
where: short stacking energy: -35.831
Base-Backbone interact. energy: -0.114
local terms energy: -48.033638
where:
bonds (distance) C4'-P energy: -12.567
bonds (distance) P-C4' energy: -10.631
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -5.499
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: 10, replica: 3
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -82.576638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.576638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.576638 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -19.663
Base-Backbone interact. energy: 1.410
local terms energy: -40.516348
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -3.827
tors. eta vs tors. theta energy: 4.146
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: 1, replica: 2
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -232.504134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.504134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.504134 (E_RNA)
where:
Base-Base interactions energy: -158.212
where: short stacking energy: -80.674
Base-Backbone interact. energy: -0.158
local terms energy: -74.134310
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -232.159727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.159727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.159727 (E_RNA)
where:
Base-Base interactions energy: -153.157
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.000
local terms energy: -79.002475
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -224.021399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.021399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.021399 (E_RNA)
where:
Base-Base interactions energy: -148.071
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.001
local terms energy: -75.949306
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -16.050
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -8.031
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -177.678743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.678743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.678743 (E_RNA)
where:
Base-Base interactions energy: -108.127
where: short stacking energy: -53.588
Base-Backbone interact. energy: -0.199
local terms energy: -69.351968
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -8.210
tors. eta vs tors. theta energy: -13.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -181.309246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.309246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.309246 (E_RNA)
where:
Base-Base interactions energy: -115.167
where: short stacking energy: -56.628
Base-Backbone interact. energy: -0.655
local terms energy: -65.487759
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -6.020
tors. eta vs tors. theta energy: -15.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -183.168952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.168952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.168952 (E_RNA)
where:
Base-Base interactions energy: -116.258
where: short stacking energy: -55.713
Base-Backbone interact. energy: -0.038
local terms energy: -66.873058
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: -19.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -144.207658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.207658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.207658 (E_RNA)
where:
Base-Base interactions energy: -93.880
where: short stacking energy: -53.279
Base-Backbone interact. energy: -0.160
local terms energy: -50.168055
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -11.336
flat angles C4'-P-C4' energy: -12.172
flat angles P-C4'-P energy: -4.499
tors. eta vs tors. theta energy: -9.789
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: 9
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -86.856345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.856345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.856345 (E_RNA)
where:
Base-Base interactions energy: -41.688
where: short stacking energy: -24.430
Base-Backbone interact. energy: 0.800
local terms energy: -45.968299
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -13.878
flat angles P-C4'-P energy: -3.992
tors. eta vs tors. theta energy: -0.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -81.752663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.752663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.752663 (E_RNA)
where:
Base-Base interactions energy: -31.026
where: short stacking energy: -31.026
Base-Backbone interact. energy: -0.035
local terms energy: -50.691444
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -8.264
flat angles P-C4'-P energy: -7.215
tors. eta vs tors. theta energy: -7.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -74.579884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.579884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.579884 (E_RNA)
where:
Base-Base interactions energy: -40.307
where: short stacking energy: -30.260
Base-Backbone interact. energy: -0.396
local terms energy: -33.876603
where:
bonds (distance) C4'-P energy: -10.398
bonds (distance) P-C4' energy: -4.997
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -2.952
tors. eta vs tors. theta energy: -6.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -226.235567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.235567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.235567 (E_RNA)
where:
Base-Base interactions energy: -149.127
where: short stacking energy: -64.912
Base-Backbone interact. energy: -0.101
local terms energy: -77.007449
where:
bonds (distance) C4'-P energy: -18.611
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -13.729
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -20.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -226.854461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.854461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.854461 (E_RNA)
where:
Base-Base interactions energy: -151.768
where: short stacking energy: -73.643
Base-Backbone interact. energy: -0.020
local terms energy: -75.066251
where:
bonds (distance) C4'-P energy: -13.135
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -23.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -221.452892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.452892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.452892 (E_RNA)
where:
Base-Base interactions energy: -149.109
where: short stacking energy: -75.318
Base-Backbone interact. energy: -0.238
local terms energy: -72.105290
where:
bonds (distance) C4'-P energy: -10.695
bonds (distance) P-C4' energy: -15.742
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -8.444
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -191.690510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690510 (E_RNA)
where:
Base-Base interactions energy: -130.388
where: short stacking energy: -48.880
Base-Backbone interact. energy: -0.829
local terms energy: -60.473409
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -9.179
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -9.982
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: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -183.082406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.082406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.082406 (E_RNA)
where:
Base-Base interactions energy: -129.885
where: short stacking energy: -65.319
Base-Backbone interact. energy: -0.104
local terms energy: -53.093358
where:
bonds (distance) C4'-P energy: -10.338
bonds (distance) P-C4' energy: -11.990
flat angles C4'-P-C4' energy: -13.855
flat angles P-C4'-P energy: -3.309
tors. eta vs tors. theta energy: -13.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -185.263945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.263945 (E_RNA)
where:
Base-Base interactions energy: -121.330
where: short stacking energy: -66.431
Base-Backbone interact. energy: -0.077
local terms energy: -63.856622
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -2.914
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: 7, replica: 4
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -145.398024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.398024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.398024 (E_RNA)
where:
Base-Base interactions energy: -86.581
where: short stacking energy: -46.039
Base-Backbone interact. energy: 3.000
local terms energy: -61.816925
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -11.462
flat angles P-C4'-P energy: -12.990
tors. eta vs tors. theta energy: -6.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -93.459579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.459579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.459579 (E_RNA)
where:
Base-Base interactions energy: -55.581
where: short stacking energy: -26.952
Base-Backbone interact. energy: -0.652
local terms energy: -37.226403
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -9.634
flat angles C4'-P-C4' energy: -9.391
flat angles P-C4'-P energy: -3.754
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: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -76.610445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.610445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.610445 (E_RNA)
where:
Base-Base interactions energy: -26.047
where: short stacking energy: -19.470
Base-Backbone interact. energy: -0.263
local terms energy: -50.300825
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -81.188325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.188325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.188325 (E_RNA)
where:
Base-Base interactions energy: -35.585
where: short stacking energy: -27.691
Base-Backbone interact. energy: 0.937
local terms energy: -46.540178
where:
bonds (distance) C4'-P energy: -10.941
bonds (distance) P-C4' energy: -9.163
flat angles C4'-P-C4' energy: -12.382
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -4.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -229.984543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.984543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.984543 (E_RNA)
where:
Base-Base interactions energy: -146.150
where: short stacking energy: -73.956
Base-Backbone interact. energy: -0.001
local terms energy: -83.832691
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.709
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -12.296
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: 2, replica: 2
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -224.594076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.594076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.594076 (E_RNA)
where:
Base-Base interactions energy: -145.281
where: short stacking energy: -62.325
Base-Backbone interact. energy: -0.550
local terms energy: -78.763329
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -11.845
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -212.462574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.462574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.462574 (E_RNA)
where:
Base-Base interactions energy: -154.809
where: short stacking energy: -64.065
Base-Backbone interact. energy: -0.325
local terms energy: -57.328236
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -14.275
flat angles P-C4'-P energy: -4.418
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: 4, replica: 10
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -212.292699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.292699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.292699 (E_RNA)
where:
Base-Base interactions energy: -145.218
where: short stacking energy: -74.353
Base-Backbone interact. energy: -0.747
local terms energy: -66.327554
where:
bonds (distance) C4'-P energy: -10.605
bonds (distance) P-C4' energy: -11.866
flat angles C4'-P-C4' energy: -13.073
flat angles P-C4'-P energy: -10.764
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: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -199.119818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.119818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.119818 (E_RNA)
where:
Base-Base interactions energy: -129.068
where: short stacking energy: -51.924
Base-Backbone interact. energy: -0.104
local terms energy: -69.947582
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -15.480
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: -16.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -173.151715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.151715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.151715 (E_RNA)
where:
Base-Base interactions energy: -112.590
where: short stacking energy: -45.313
Base-Backbone interact. energy: -0.594
local terms energy: -59.967328
where:
bonds (distance) C4'-P energy: -9.594
bonds (distance) P-C4' energy: -14.444
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -10.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -139.255106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.255106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.255106 (E_RNA)
where:
Base-Base interactions energy: -82.843
where: short stacking energy: -48.638
Base-Backbone interact. energy: -0.419
local terms energy: -55.993479
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -2.798
tors. eta vs tors. theta energy: -10.481
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: 450
Temperature: 1.250000
Total energy: -88.821028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821028 (E_RNA)
where:
Base-Base interactions energy: -31.991
where: short stacking energy: -28.176
Base-Backbone interact. energy: -0.021
local terms energy: -56.809020
where:
bonds (distance) C4'-P energy: -13.636
bonds (distance) P-C4' energy: -14.243
flat angles C4'-P-C4' energy: -15.682
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -4.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -84.531407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.531407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.531407 (E_RNA)
where:
Base-Base interactions energy: -31.560
where: short stacking energy: -27.413
Base-Backbone interact. energy: 0.536
local terms energy: -53.507680
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -7.940
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: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -78.083496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.083496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.083496 (E_RNA)
where:
Base-Base interactions energy: -31.093
where: short stacking energy: -26.986
Base-Backbone interact. energy: -0.079
local terms energy: -46.910773
where:
bonds (distance) C4'-P energy: -12.935
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -13.819
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: 1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -234.697659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.697659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.697659 (E_RNA)
where:
Base-Base interactions energy: -154.599
where: short stacking energy: -79.698
Base-Backbone interact. energy: -0.000
local terms energy: -80.098337
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -21.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -227.948540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.948540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.948540 (E_RNA)
where:
Base-Base interactions energy: -146.815
where: short stacking energy: -72.024
Base-Backbone interact. energy: -0.004
local terms energy: -81.130521
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -22.595
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: 5
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -216.378207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.378207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.378207 (E_RNA)
where:
Base-Base interactions energy: -152.942
where: short stacking energy: -65.917
Base-Backbone interact. energy: -0.016
local terms energy: -63.420257
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.004
flat angles C4'-P-C4' energy: -14.865
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -14.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -219.716689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.716689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.716689 (E_RNA)
where:
Base-Base interactions energy: -149.284
where: short stacking energy: -70.324
Base-Backbone interact. energy: -0.071
local terms energy: -70.361257
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -17.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -181.914017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.914017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.914017 (E_RNA)
where:
Base-Base interactions energy: -115.345
where: short stacking energy: -53.976
Base-Backbone interact. energy: -0.147
local terms energy: -66.421632
where:
bonds (distance) C4'-P energy: -14.860
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.134
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -16.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -170.553369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.553369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.553369 (E_RNA)
where:
Base-Base interactions energy: -110.552
where: short stacking energy: -48.593
Base-Backbone interact. energy: -0.035
local terms energy: -59.965777
where:
bonds (distance) C4'-P energy: -13.117
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -7.816
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -105.306313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.306313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.306313 (E_RNA)
where:
Base-Base interactions energy: -45.652
where: short stacking energy: -31.968
Base-Backbone interact. energy: 0.372
local terms energy: -60.026923
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -8.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -92.622551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.622551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.622551 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -40.417
Base-Backbone interact. energy: -1.179
local terms energy: -48.418449
where:
bonds (distance) C4'-P energy: -12.298
bonds (distance) P-C4' energy: -11.357
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -3.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -79.494072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.494072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.494072 (E_RNA)
where:
Base-Base interactions energy: -29.808
where: short stacking energy: -18.692
Base-Backbone interact. energy: -0.097
local terms energy: -49.589307
where:
bonds (distance) C4'-P energy: -14.807
bonds (distance) P-C4' energy: -13.720
flat angles C4'-P-C4' energy: -10.726
flat angles P-C4'-P energy: -10.601
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: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -69.329776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.329776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.329776 (E_RNA)
where:
Base-Base interactions energy: -29.680
where: short stacking energy: -28.129
Base-Backbone interact. energy: -0.390
local terms energy: -39.259967
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -5.835
flat angles P-C4'-P energy: -11.608
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: 1, replica: 2
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -231.371677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.371677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.371677 (E_RNA)
where:
Base-Base interactions energy: -151.058
where: short stacking energy: -76.356
Base-Backbone interact. energy: -0.002
local terms energy: -80.311158
where:
bonds (distance) C4'-P energy: -16.016
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -14.052
flat angles P-C4'-P energy: -11.691
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: 2, replica: 7
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -220.031657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.031657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.031657 (E_RNA)
where:
Base-Base interactions energy: -139.017
where: short stacking energy: -60.207
Base-Backbone interact. energy: -0.002
local terms energy: -81.012985
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.380
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: 5
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -212.939309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.939309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.939309 (E_RNA)
where:
Base-Base interactions energy: -140.430
where: short stacking energy: -57.893
Base-Backbone interact. energy: -0.028
local terms energy: -72.481587
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -14.347
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -18.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -215.404038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.404038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.404038 (E_RNA)
where:
Base-Base interactions energy: -142.015
where: short stacking energy: -69.562
Base-Backbone interact. energy: 0.920
local terms energy: -74.308550
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.721
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -190.518460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.518460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.518460 (E_RNA)
where:
Base-Base interactions energy: -125.290
where: short stacking energy: -61.083
Base-Backbone interact. energy: -0.036
local terms energy: -65.192555
where:
bonds (distance) C4'-P energy: -12.517
bonds (distance) P-C4' energy: -11.455
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -178.567657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.567657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.567657 (E_RNA)
where:
Base-Base interactions energy: -115.820
where: short stacking energy: -44.509
Base-Backbone interact. energy: -0.546
local terms energy: -62.201435
where:
bonds (distance) C4'-P energy: -17.522
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -9.259
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -9.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -105.396641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.396641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.396641 (E_RNA)
where:
Base-Base interactions energy: -48.115
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.096
local terms energy: -57.185439
where:
bonds (distance) C4'-P energy: -11.155
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -12.808
flat angles P-C4'-P energy: -6.791
tors. eta vs tors. theta energy: -9.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -91.244140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.244140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.244140 (E_RNA)
where:
Base-Base interactions energy: -42.343
where: short stacking energy: -32.527
Base-Backbone interact. energy: -0.038
local terms energy: -48.863197
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.144
flat angles C4'-P-C4' energy: -10.394
flat angles P-C4'-P energy: -7.652
tors. eta vs tors. theta energy: -5.808
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: 9, replica: 9
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -82.149277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.149277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.149277 (E_RNA)
where:
Base-Base interactions energy: -31.281
where: short stacking energy: -24.268
Base-Backbone interact. energy: -0.157
local terms energy: -50.711678
where:
bonds (distance) C4'-P energy: -13.307
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -0.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -84.966296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.966296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.966296 (E_RNA)
where:
Base-Base interactions energy: -31.198
where: short stacking energy: -29.769
Base-Backbone interact. energy: -0.722
local terms energy: -53.045986
where:
bonds (distance) C4'-P energy: -11.579
bonds (distance) P-C4' energy: -13.255
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -1.384
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: 2
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -224.901334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.901334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.901334 (E_RNA)
where:
Base-Base interactions energy: -146.807
where: short stacking energy: -64.404
Base-Backbone interact. energy: -0.460
local terms energy: -77.634632
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.406
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -18.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -199.252246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.252246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.252246 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -59.749
Base-Backbone interact. energy: -0.272
local terms energy: -59.114148
where:
bonds (distance) C4'-P energy: -11.684
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -9.670
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -12.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -227.200488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.200488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.200488 (E_RNA)
where:
Base-Base interactions energy: -149.326
where: short stacking energy: -76.266
Base-Backbone interact. energy: -0.000
local terms energy: -77.874368
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -21.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -211.396455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.396455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.396455 (E_RNA)
where:
Base-Base interactions energy: -141.486
where: short stacking energy: -67.313
Base-Backbone interact. energy: -0.660
local terms energy: -69.250405
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -15.707
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -15.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -192.953947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.953947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.953947 (E_RNA)
where:
Base-Base interactions energy: -126.819
where: short stacking energy: -52.087
Base-Backbone interact. energy: -0.287
local terms energy: -65.848142
where:
bonds (distance) C4'-P energy: -15.345
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -13.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -181.263215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.263215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.263215 (E_RNA)
where:
Base-Base interactions energy: -118.567
where: short stacking energy: -48.682
Base-Backbone interact. energy: 1.493
local terms energy: -64.189376
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -8.836
flat angles C4'-P-C4' energy: -17.954
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -98.743177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.743177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.743177 (E_RNA)
where:
Base-Base interactions energy: -49.984
where: short stacking energy: -30.470
Base-Backbone interact. energy: 0.059
local terms energy: -48.818880
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -88.502747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.502747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.502747 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -33.007
Base-Backbone interact. energy: -0.354
local terms energy: -55.141442
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -9.803
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -6.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.008023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.008023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.008023 (E_RNA)
where:
Base-Base interactions energy: -28.026
where: short stacking energy: -28.026
Base-Backbone interact. energy: -0.109
local terms energy: -56.872474
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -3.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -85.174280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.174280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.174280 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -23.434
Base-Backbone interact. energy: -0.103
local terms energy: -46.518190
where:
bonds (distance) C4'-P energy: -8.873
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -10.382
flat angles P-C4'-P energy: -9.600
tors. eta vs tors. theta energy: -2.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -228.938548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.938548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.938548 (E_RNA)
where:
Base-Base interactions energy: -153.418
where: short stacking energy: -70.247
Base-Backbone interact. energy: -0.271
local terms energy: -75.249692
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.785
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.993
tors. eta vs tors. theta energy: -19.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -197.148784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.148784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.148784 (E_RNA)
where:
Base-Base interactions energy: -129.820
where: short stacking energy: -60.450
Base-Backbone interact. energy: -0.115
local terms energy: -67.214438
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.544
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -13.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -212.412214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.412214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.412214 (E_RNA)
where:
Base-Base interactions energy: -144.603
where: short stacking energy: -64.642
Base-Backbone interact. energy: -0.008
local terms energy: -67.801507
where:
bonds (distance) C4'-P energy: -10.808
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -15.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -214.077814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.077814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.077814 (E_RNA)
where:
Base-Base interactions energy: -137.574
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.583
local terms energy: -75.920872
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -11.937
tors. eta vs tors. theta energy: -19.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -198.268275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.268275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.268275 (E_RNA)
where:
Base-Base interactions energy: -134.852
where: short stacking energy: -49.319
Base-Backbone interact. energy: -0.478
local terms energy: -62.938395
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -12.547
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -13.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -181.899695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.899695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.899695 (E_RNA)
where:
Base-Base interactions energy: -121.362
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.008
local terms energy: -60.530281
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -10.504
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -6.967
tors. eta vs tors. theta energy: -12.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -94.277189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.277189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.277189 (E_RNA)
where:
Base-Base interactions energy: -46.571
where: short stacking energy: -45.802
Base-Backbone interact. energy: -0.090
local terms energy: -47.616633
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -14.362
flat angles C4'-P-C4' energy: -8.464
flat angles P-C4'-P energy: -5.175
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -112.663005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.663005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.663005 (E_RNA)
where:
Base-Base interactions energy: -57.604
where: short stacking energy: -39.062
Base-Backbone interact. energy: -0.316
local terms energy: -54.743271
where:
bonds (distance) C4'-P energy: -12.464
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -14.696
flat angles P-C4'-P energy: -6.075
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -90.855495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.855495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.855495 (E_RNA)
where:
Base-Base interactions energy: -39.507
where: short stacking energy: -27.084
Base-Backbone interact. energy: -0.084
local terms energy: -51.264311
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -11.556
flat angles P-C4'-P energy: -8.304
tors. eta vs tors. theta energy: -1.562
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: 10, replica: 4
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -84.089204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.089204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.089204 (E_RNA)
where:
Base-Base interactions energy: -34.832
where: short stacking energy: -26.996
Base-Backbone interact. energy: 1.027
local terms energy: -50.284993
where:
bonds (distance) C4'-P energy: -11.751
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -3.972
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: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -234.777959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.777959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.777959 (E_RNA)
where:
Base-Base interactions energy: -156.448
where: short stacking energy: -74.407
Base-Backbone interact. energy: -0.043
local terms energy: -78.286702
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -12.565
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: 2, replica: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -217.620532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.620532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.620532 (E_RNA)
where:
Base-Base interactions energy: -145.835
where: short stacking energy: -64.898
Base-Backbone interact. energy: -0.436
local terms energy: -71.349882
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -18.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -200.510060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510060 (E_RNA)
where:
Base-Base interactions energy: -130.563
where: short stacking energy: -67.315
Base-Backbone interact. energy: 0.341
local terms energy: -70.288245
where:
bonds (distance) C4'-P energy: -13.402
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -9.714
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -211.366260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.366260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.366260 (E_RNA)
where:
Base-Base interactions energy: -139.752
where: short stacking energy: -66.773
Base-Backbone interact. energy: -0.194
local terms energy: -71.419573
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -15.401
flat angles C4'-P-C4' energy: -16.004
flat angles P-C4'-P energy: -9.355
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: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -186.035010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.035010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.035010 (E_RNA)
where:
Base-Base interactions energy: -118.322
where: short stacking energy: -55.475
Base-Backbone interact. energy: 0.718
local terms energy: -68.430529
where:
bonds (distance) C4'-P energy: -13.962
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -14.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -184.343446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.343446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.343446 (E_RNA)
where:
Base-Base interactions energy: -119.093
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.006
local terms energy: -65.243659
where:
bonds (distance) C4'-P energy: -11.271
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -12.538
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.494
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: 7, replica: 9
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -85.578455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.578455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.578455 (E_RNA)
where:
Base-Base interactions energy: -42.940
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.554
local terms energy: -42.084080
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.007
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -2.099
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -113.228350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.228350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.228350 (E_RNA)
where:
Base-Base interactions energy: -61.474
where: short stacking energy: -36.624
Base-Backbone interact. energy: -0.511
local terms energy: -51.242965
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -12.912
flat angles C4'-P-C4' energy: -10.979
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -7.527
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: 3
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -86.310051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.310051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.310051 (E_RNA)
where:
Base-Base interactions energy: -42.128
where: short stacking energy: -30.922
Base-Backbone interact. energy: -0.320
local terms energy: -43.861634
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -10.683
flat angles C4'-P-C4' energy: -8.061
flat angles P-C4'-P energy: -7.236
tors. eta vs tors. theta energy: -2.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -69.764194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.764194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.764194 (E_RNA)
where:
Base-Base interactions energy: -23.963
where: short stacking energy: -19.648
Base-Backbone interact. energy: -0.518
local terms energy: -45.283518
where:
bonds (distance) C4'-P energy: -13.697
bonds (distance) P-C4' energy: -10.254
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: 3.107
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: 10
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -229.625968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.625968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.625968 (E_RNA)
where:
Base-Base interactions energy: -153.610
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.238
local terms energy: -75.777783
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -20.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -228.181238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.181238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.181238 (E_RNA)
where:
Base-Base interactions energy: -151.356
where: short stacking energy: -72.817
Base-Backbone interact. energy: -0.003
local terms energy: -76.823008
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -14.945
flat angles C4'-P-C4' energy: -14.583
flat angles P-C4'-P energy: -13.579
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: 3, replica: 7
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -214.041558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.041558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.041558 (E_RNA)
where:
Base-Base interactions energy: -137.339
where: short stacking energy: -69.829
Base-Backbone interact. energy: -0.677
local terms energy: -76.025643
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -18.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -194.403492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.403492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.403492 (E_RNA)
where:
Base-Base interactions energy: -129.888
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.025
local terms energy: -64.491023
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -13.134
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -12.575
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: 1
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -188.088691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.088691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.088691 (E_RNA)
where:
Base-Base interactions energy: -129.056
where: short stacking energy: -57.432
Base-Backbone interact. energy: -0.557
local terms energy: -58.475946
where:
bonds (distance) C4'-P energy: -9.971
bonds (distance) P-C4' energy: -11.154
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -16.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -181.653858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.653858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.653858 (E_RNA)
where:
Base-Base interactions energy: -115.927
where: short stacking energy: -57.582
Base-Backbone interact. energy: -0.012
local terms energy: -65.715182
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -12.092
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -14.074
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: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -106.711323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.711323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.711323 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -39.917
Base-Backbone interact. energy: -0.018
local terms energy: -57.321393
where:
bonds (distance) C4'-P energy: -11.349
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -3.874
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: 8, replica: 9
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -96.928039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.928039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.928039 (E_RNA)
where:
Base-Base interactions energy: -47.638
where: short stacking energy: -26.195
Base-Backbone interact. energy: 0.476
local terms energy: -49.766211
where:
bonds (distance) C4'-P energy: -15.589
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -7.587
flat angles P-C4'-P energy: -6.514
tors. eta vs tors. theta energy: -3.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -82.905543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.905543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.905543 (E_RNA)
where:
Base-Base interactions energy: -37.129
where: short stacking energy: -34.479
Base-Backbone interact. energy: -0.125
local terms energy: -45.651683
where:
bonds (distance) C4'-P energy: -7.545
bonds (distance) P-C4' energy: -14.257
flat angles C4'-P-C4' energy: -6.328
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -7.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -78.863799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.863799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.863799 (E_RNA)
where:
Base-Base interactions energy: -30.197
where: short stacking energy: -24.040
Base-Backbone interact. energy: -0.199
local terms energy: -48.467514
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -0.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -228.379048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.379048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.379048 (E_RNA)
where:
Base-Base interactions energy: -160.193
where: short stacking energy: -70.700
Base-Backbone interact. energy: -0.061
local terms energy: -68.125728
where:
bonds (distance) C4'-P energy: -8.807
bonds (distance) P-C4' energy: -13.564
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -13.865
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: 2, replica: 2
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -223.321900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.321900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.321900 (E_RNA)
where:
Base-Base interactions energy: -146.202
where: short stacking energy: -72.019
Base-Backbone interact. energy: -0.003
local terms energy: -77.117663
where:
bonds (distance) C4'-P energy: -16.811
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -8.847
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: 7
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -206.090454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.090454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.090454 (E_RNA)
where:
Base-Base interactions energy: -137.165
where: short stacking energy: -67.739
Base-Backbone interact. energy: -0.002
local terms energy: -68.923765
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -17.319
flat angles C4'-P-C4' energy: -13.963
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -17.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -203.997391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.997391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.997391 (E_RNA)
where:
Base-Base interactions energy: -136.511
where: short stacking energy: -56.339
Base-Backbone interact. energy: -0.369
local terms energy: -67.117224
where:
bonds (distance) C4'-P energy: -14.009
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -9.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -190.225128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.225128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.225128 (E_RNA)
where:
Base-Base interactions energy: -114.138
where: short stacking energy: -56.035
Base-Backbone interact. energy: 0.201
local terms energy: -76.288251
where:
bonds (distance) C4'-P energy: -16.537
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -16.062
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: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -185.255740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.255740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.255740 (E_RNA)
where:
Base-Base interactions energy: -115.618
where: short stacking energy: -51.764
Base-Backbone interact. energy: -0.123
local terms energy: -69.515061
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -14.258
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -8.130
tors. eta vs tors. theta energy: -13.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -97.097728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.097728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.097728 (E_RNA)
where:
Base-Base interactions energy: -47.445
where: short stacking energy: -28.492
Base-Backbone interact. energy: -0.221
local terms energy: -49.432053
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -11.833
flat angles C4'-P-C4' energy: -12.581
flat angles P-C4'-P energy: -6.958
tors. eta vs tors. theta energy: -5.482
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: 3
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -97.160901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.160901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.160901 (E_RNA)
where:
Base-Base interactions energy: -52.167
where: short stacking energy: -20.287
Base-Backbone interact. energy: 1.267
local terms energy: -46.261270
where:
bonds (distance) C4'-P energy: -10.639
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -9.846
flat angles P-C4'-P energy: -8.021
tors. eta vs tors. theta energy: -2.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -90.159175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159175 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -35.638
Base-Backbone interact. energy: -0.672
local terms energy: -53.849697
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -8.543
tors. eta vs tors. theta energy: -5.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -79.476625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.476625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.476625 (E_RNA)
where:
Base-Base interactions energy: -33.124
where: short stacking energy: -31.038
Base-Backbone interact. energy: -0.583
local terms energy: -45.770258
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -10.092
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -5.116
tors. eta vs tors. theta energy: -0.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -234.224013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.224013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.224013 (E_RNA)
where:
Base-Base interactions energy: -153.219
where: short stacking energy: -77.017
Base-Backbone interact. energy: -0.009
local terms energy: -80.995688
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -23.442
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: 10
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -220.337352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.337352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.337352 (E_RNA)
where:
Base-Base interactions energy: -145.937
where: short stacking energy: -57.099
Base-Backbone interact. energy: -1.267
local terms energy: -73.132647
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -11.017
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -18.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -213.675181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.675181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.675181 (E_RNA)
where:
Base-Base interactions energy: -145.568
where: short stacking energy: -71.947
Base-Backbone interact. energy: -0.003
local terms energy: -68.104339
where:
bonds (distance) C4'-P energy: -9.810
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -18.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -183.682006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.682006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.682006 (E_RNA)
where:
Base-Base interactions energy: -117.046
where: short stacking energy: -57.284
Base-Backbone interact. energy: -0.113
local terms energy: -66.522812
where:
bonds (distance) C4'-P energy: -15.941
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -10.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -190.051983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.051983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.051983 (E_RNA)
where:
Base-Base interactions energy: -127.097
where: short stacking energy: -55.403
Base-Backbone interact. energy: -0.538
local terms energy: -62.416547
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -14.696
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -9.693
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: 1
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -187.260644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.260644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.260644 (E_RNA)
where:
Base-Base interactions energy: -122.466
where: short stacking energy: -49.275
Base-Backbone interact. energy: -0.015
local terms energy: -64.779512
where:
bonds (distance) C4'-P energy: -12.670
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -12.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -127.169479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.169479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.169479 (E_RNA)
where:
Base-Base interactions energy: -73.317
where: short stacking energy: -44.467
Base-Backbone interact. energy: -0.070
local terms energy: -53.782523
where:
bonds (distance) C4'-P energy: -8.647
bonds (distance) P-C4' energy: -12.186
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -10.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -92.424953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.424953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.424953 (E_RNA)
where:
Base-Base interactions energy: -34.270
where: short stacking energy: -34.270
Base-Backbone interact. energy: 0.506
local terms energy: -58.660746
where:
bonds (distance) C4'-P energy: -10.841
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -7.012
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: 4
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -80.772810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.772810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.772810 (E_RNA)
where:
Base-Base interactions energy: -27.305
where: short stacking energy: -27.305
Base-Backbone interact. energy: -0.037
local terms energy: -53.430073
where:
bonds (distance) C4'-P energy: -9.370
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -12.957
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -2.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -75.825523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.825523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.825523 (E_RNA)
where:
Base-Base interactions energy: -28.715
where: short stacking energy: -25.972
Base-Backbone interact. energy: -0.125
local terms energy: -46.985415
where:
bonds (distance) C4'-P energy: -12.392
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -7.063
flat angles P-C4'-P energy: -7.655
tors. eta vs tors. theta energy: -3.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -227.341227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.341227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.341227 (E_RNA)
where:
Base-Base interactions energy: -151.072
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.024
local terms energy: -76.245069
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -17.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -220.693220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.693220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.693220 (E_RNA)
where:
Base-Base interactions energy: -147.265
where: short stacking energy: -71.744
Base-Backbone interact. energy: -0.004
local terms energy: -73.424802
where:
bonds (distance) C4'-P energy: -12.174
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -9.824
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -224.095076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.095076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.095076 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.005
local terms energy: -75.088295
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -5.535
tors. eta vs tors. theta energy: -20.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -197.598984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.598984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.598984 (E_RNA)
where:
Base-Base interactions energy: -134.172
where: short stacking energy: -57.357
Base-Backbone interact. energy: -0.659
local terms energy: -62.768311
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -5.363
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: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -189.247004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.247004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.247004 (E_RNA)
where:
Base-Base interactions energy: -118.969
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.109
local terms energy: -70.169248
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.165
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -16.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -190.541672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.541672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.541672 (E_RNA)
where:
Base-Base interactions energy: -123.356
where: short stacking energy: -51.132
Base-Backbone interact. energy: -0.122
local terms energy: -67.062977
where:
bonds (distance) C4'-P energy: -12.877
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -12.647
flat angles P-C4'-P energy: -10.963
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: 7, replica: 3
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -150.149892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.149892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.149892 (E_RNA)
where:
Base-Base interactions energy: -83.579
where: short stacking energy: -48.057
Base-Backbone interact. energy: -0.654
local terms energy: -65.917096
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -13.870
flat angles P-C4'-P energy: -6.642
tors. eta vs tors. theta energy: -15.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -82.175557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.175557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.175557 (E_RNA)
where:
Base-Base interactions energy: -39.198
where: short stacking energy: -30.015
Base-Backbone interact. energy: -0.162
local terms energy: -42.815289
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -8.717
flat angles C4'-P-C4' energy: -8.794
flat angles P-C4'-P energy: -7.893
tors. eta vs tors. theta energy: -5.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -120.536031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.536031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.536031 (E_RNA)
where:
Base-Base interactions energy: -68.033
where: short stacking energy: -25.126
Base-Backbone interact. energy: -0.284
local terms energy: -52.219533
where:
bonds (distance) C4'-P energy: -15.304
bonds (distance) P-C4' energy: -9.379
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -3.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -74.831009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.831009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.831009 (E_RNA)
where:
Base-Base interactions energy: -33.742
where: short stacking energy: -26.832
Base-Backbone interact. energy: -0.037
local terms energy: -41.052296
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -11.646
flat angles C4'-P-C4' energy: -8.702
flat angles P-C4'-P energy: -8.790
tors. eta vs tors. theta energy: 0.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -231.476288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.476288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.476288 (E_RNA)
where:
Base-Base interactions energy: -150.903
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.167
local terms energy: -80.405878
where:
bonds (distance) C4'-P energy: -15.002
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -10.222
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: 2, replica: 2
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -227.670910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.670910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.670910 (E_RNA)
where:
Base-Base interactions energy: -154.097
where: short stacking energy: -78.102
Base-Backbone interact. energy: -0.277
local terms energy: -73.297133
where:
bonds (distance) C4'-P energy: -10.939
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -216.226154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.226154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.226154 (E_RNA)
where:
Base-Base interactions energy: -147.840
where: short stacking energy: -66.966
Base-Backbone interact. energy: -0.213
local terms energy: -68.173137
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -7.000
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: 460
Temperature: 1.050000
Total energy: -203.711673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.711673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.711673 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -71.865
Base-Backbone interact. energy: -0.004
local terms energy: -70.987983
where:
bonds (distance) C4'-P energy: -11.108
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -12.158
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: 5
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -177.004943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.004943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.004943 (E_RNA)
where:
Base-Base interactions energy: -119.489
where: short stacking energy: -58.063
Base-Backbone interact. energy: -0.258
local terms energy: -57.258239
where:
bonds (distance) C4'-P energy: -13.121
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -1.387
tors. eta vs tors. theta energy: -10.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -190.252924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.252924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.252924 (E_RNA)
where:
Base-Base interactions energy: -123.794
where: short stacking energy: -65.876
Base-Backbone interact. energy: -0.722
local terms energy: -65.737729
where:
bonds (distance) C4'-P energy: -12.136
bonds (distance) P-C4' energy: -12.703
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -11.698
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: 3
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -134.668311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.668311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.668311 (E_RNA)
where:
Base-Base interactions energy: -75.051
where: short stacking energy: -40.698
Base-Backbone interact. energy: -0.126
local terms energy: -59.491415
where:
bonds (distance) C4'-P energy: -7.916
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -12.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -102.093869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.093869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.093869 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -31.602
Base-Backbone interact. energy: -0.246
local terms energy: -53.523044
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -11.500
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -89.656433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.656433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.656433 (E_RNA)
where:
Base-Base interactions energy: -30.324
where: short stacking energy: -27.011
Base-Backbone interact. energy: -1.453
local terms energy: -57.878989
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -3.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.968025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.968025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.968025 (E_RNA)
where:
Base-Base interactions energy: -30.442
where: short stacking energy: -29.912
Base-Backbone interact. energy: -0.265
local terms energy: -53.260692
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -16.464
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -8.868
tors. eta vs tors. theta energy: -1.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -235.155890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.155890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.155890 (E_RNA)
where:
Base-Base interactions energy: -153.954
where: short stacking energy: -78.536
Base-Backbone interact. energy: -0.228
local terms energy: -80.973698
where:
bonds (distance) C4'-P energy: -11.361
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -13.349
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: 10
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -232.814466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.814466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.814466 (E_RNA)
where:
Base-Base interactions energy: -152.291
where: short stacking energy: -75.717
Base-Backbone interact. energy: -0.183
local terms energy: -80.340348
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -10.341
tors. eta vs tors. theta energy: -23.517
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: 461
Temperature: 1.000000
Total energy: -233.654130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.654130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.654130 (E_RNA)
where:
Base-Base interactions energy: -151.851
where: short stacking energy: -71.847
Base-Backbone interact. energy: -0.004
local terms energy: -81.799079
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -19.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -192.058297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.058297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.058297 (E_RNA)
where:
Base-Base interactions energy: -125.244
where: short stacking energy: -66.101
Base-Backbone interact. energy: -0.088
local terms energy: -66.725871
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -8.873
tors. eta vs tors. theta energy: -16.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -183.801124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.801124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.801124 (E_RNA)
where:
Base-Base interactions energy: -118.573
where: short stacking energy: -59.225
Base-Backbone interact. energy: -0.052
local terms energy: -65.175593
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -4.744
tors. eta vs tors. theta energy: -17.150
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: 1
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -185.837161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.837161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.837161 (E_RNA)
where:
Base-Base interactions energy: -118.251
where: short stacking energy: -60.740
Base-Backbone interact. energy: -0.101
local terms energy: -67.485448
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -14.595
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -19.788
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: 3
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -147.004222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.004222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.004222 (E_RNA)
where:
Base-Base interactions energy: -87.984
where: short stacking energy: -43.322
Base-Backbone interact. energy: -0.050
local terms energy: -58.970286
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -83.473896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.473896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.473896 (E_RNA)
where:
Base-Base interactions energy: -40.144
where: short stacking energy: -28.930
Base-Backbone interact. energy: -0.092
local terms energy: -43.237868
where:
bonds (distance) C4'-P energy: -12.302
bonds (distance) P-C4' energy: -11.784
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -3.750
tors. eta vs tors. theta energy: -1.243
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: 4
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -94.562446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.562446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.562446 (E_RNA)
where:
Base-Base interactions energy: -37.555
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.547
local terms energy: -56.461000
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -10.737
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -11.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -77.701697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.701697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.701697 (E_RNA)
where:
Base-Base interactions energy: -29.836
where: short stacking energy: -27.311
Base-Backbone interact. energy: -0.049
local terms energy: -47.816297
where:
bonds (distance) C4'-P energy: -5.095
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -5.463
tors. eta vs tors. theta energy: -7.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -226.300217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.300217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.300217 (E_RNA)
where:
Base-Base interactions energy: -152.557
where: short stacking energy: -72.379
Base-Backbone interact. energy: -0.003
local terms energy: -73.740566
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -19.077
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: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -229.615046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.615046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.615046 (E_RNA)
where:
Base-Base interactions energy: -149.286
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.023
local terms energy: -80.306385
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -233.180826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.180826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.180826 (E_RNA)
where:
Base-Base interactions energy: -153.165
where: short stacking energy: -74.315
Base-Backbone interact. energy: -0.012
local terms energy: -80.004725
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.660
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -185.616140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616140 (E_RNA)
where:
Base-Base interactions energy: -121.822
where: short stacking energy: -54.904
Base-Backbone interact. energy: -0.137
local terms energy: -63.657057
where:
bonds (distance) C4'-P energy: -12.469
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -13.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -190.491679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.491679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.491679 (E_RNA)
where:
Base-Base interactions energy: -120.289
where: short stacking energy: -60.273
Base-Backbone interact. energy: -0.093
local terms energy: -70.110380
where:
bonds (distance) C4'-P energy: -10.402
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -12.065
tors. eta vs tors. theta energy: -15.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -178.958790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.958790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.958790 (E_RNA)
where:
Base-Base interactions energy: -114.570
where: short stacking energy: -46.737
Base-Backbone interact. energy: -0.011
local terms energy: -64.377559
where:
bonds (distance) C4'-P energy: -14.442
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -10.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -156.398364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.398364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.398364 (E_RNA)
where:
Base-Base interactions energy: -99.024
where: short stacking energy: -38.088
Base-Backbone interact. energy: -0.130
local terms energy: -57.245056
where:
bonds (distance) C4'-P energy: -11.220
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -11.400
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -9.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -98.546759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.546759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.546759 (E_RNA)
where:
Base-Base interactions energy: -56.370
where: short stacking energy: -24.943
Base-Backbone interact. energy: 1.693
local terms energy: -43.869466
where:
bonds (distance) C4'-P energy: -11.246
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -6.495
tors. eta vs tors. theta energy: -2.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -91.617086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.617086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.617086 (E_RNA)
where:
Base-Base interactions energy: -41.827
where: short stacking energy: -40.060
Base-Backbone interact. energy: -0.118
local terms energy: -49.671977
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -9.188
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -4.741
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: 10, replica: 8
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -80.386530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.386530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.386530 (E_RNA)
where:
Base-Base interactions energy: -32.333
where: short stacking energy: -22.243
Base-Backbone interact. energy: -0.452
local terms energy: -47.600757
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -2.426
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: 10
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -228.204887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.204887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.204887 (E_RNA)
where:
Base-Base interactions energy: -153.537
where: short stacking energy: -70.575
Base-Backbone interact. energy: -0.147
local terms energy: -74.521007
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -6.073
tors. eta vs tors. theta energy: -20.130
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: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -229.904550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.904550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.904550 (E_RNA)
where:
Base-Base interactions energy: -158.680
where: short stacking energy: -80.894
Base-Backbone interact. energy: -0.011
local terms energy: -71.213617
where:
bonds (distance) C4'-P energy: -9.966
bonds (distance) P-C4' energy: -13.908
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -12.473
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -230.301694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.301694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.301694 (E_RNA)
where:
Base-Base interactions energy: -152.076
where: short stacking energy: -79.492
Base-Backbone interact. energy: -0.001
local terms energy: -78.224163
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.317
tors. eta vs tors. theta energy: -21.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -199.050975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050975 (E_RNA)
where:
Base-Base interactions energy: -124.872
where: short stacking energy: -60.650
Base-Backbone interact. energy: 0.424
local terms energy: -74.602960
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -16.530
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -18.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -182.669948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.669948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.669948 (E_RNA)
where:
Base-Base interactions energy: -119.111
where: short stacking energy: -56.565
Base-Backbone interact. energy: 0.250
local terms energy: -63.809871
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -11.443
flat angles C4'-P-C4' energy: -14.302
flat angles P-C4'-P energy: -10.597
tors. eta vs tors. theta energy: -14.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -167.351899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.351899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.351899 (E_RNA)
where:
Base-Base interactions energy: -104.939
where: short stacking energy: -51.976
Base-Backbone interact. energy: -0.062
local terms energy: -62.351568
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -9.618
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -171.153411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.153411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.153411 (E_RNA)
where:
Base-Base interactions energy: -110.626
where: short stacking energy: -48.848
Base-Backbone interact. energy: -0.361
local terms energy: -60.165854
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -10.320
tors. eta vs tors. theta energy: -11.211
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: 4
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -81.836445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.836445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.836445 (E_RNA)
where:
Base-Base interactions energy: -36.354
where: short stacking energy: -36.354
Base-Backbone interact. energy: -0.207
local terms energy: -45.275828
where:
bonds (distance) C4'-P energy: -10.270
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -15.523
flat angles P-C4'-P energy: -3.284
tors. eta vs tors. theta energy: -0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -88.922624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.922624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.922624 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -22.422
Base-Backbone interact. energy: 3.070
local terms energy: -52.590390
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -4.596
tors. eta vs tors. theta energy: -6.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -87.033040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033040 (E_RNA)
where:
Base-Base interactions energy: -39.247
where: short stacking energy: -26.397
Base-Backbone interact. energy: 0.616
local terms energy: -48.401798
where:
bonds (distance) C4'-P energy: -10.331
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -9.527
tors. eta vs tors. theta energy: -3.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -233.550809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.550809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.550809 (E_RNA)
where:
Base-Base interactions energy: -153.887
where: short stacking energy: -71.971
Base-Backbone interact. energy: -0.219
local terms energy: -79.444579
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -229.150271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.150271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.150271 (E_RNA)
where:
Base-Base interactions energy: -148.260
where: short stacking energy: -72.331
Base-Backbone interact. energy: -0.000
local terms energy: -80.889809
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -14.677
tors. eta vs tors. theta energy: -19.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -223.697572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.697572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.697572 (E_RNA)
where:
Base-Base interactions energy: -142.458
where: short stacking energy: -71.862
Base-Backbone interact. energy: -0.280
local terms energy: -80.960273
where:
bonds (distance) C4'-P energy: -16.421
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -10.577
tors. eta vs tors. theta energy: -19.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -183.158235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.158235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.158235 (E_RNA)
where:
Base-Base interactions energy: -115.415
where: short stacking energy: -56.124
Base-Backbone interact. energy: -0.013
local terms energy: -67.729631
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.290
flat angles P-C4'-P energy: -7.734
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: 464
Temperature: 1.100000
Total energy: -185.181082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.181082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.181082 (E_RNA)
where:
Base-Base interactions energy: -123.990
where: short stacking energy: -61.269
Base-Backbone interact. energy: -0.015
local terms energy: -61.175810
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -9.683
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -188.203393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.203393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.203393 (E_RNA)
where:
Base-Base interactions energy: -126.809
where: short stacking energy: -57.597
Base-Backbone interact. energy: -0.608
local terms energy: -60.786513
where:
bonds (distance) C4'-P energy: -11.809
bonds (distance) P-C4' energy: -14.533
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -5.929
tors. eta vs tors. theta energy: -15.784
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: 464
Temperature: 1.200000
Total energy: -153.815934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.815934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.815934 (E_RNA)
where:
Base-Base interactions energy: -99.266
where: short stacking energy: -40.267
Base-Backbone interact. energy: -0.022
local terms energy: -54.528004
where:
bonds (distance) C4'-P energy: -8.381
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -12.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -80.068758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.068758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.068758 (E_RNA)
where:
Base-Base interactions energy: -29.987
where: short stacking energy: -29.875
Base-Backbone interact. energy: -0.350
local terms energy: -49.731323
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -11.685
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -1.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -90.440082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.440082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.440082 (E_RNA)
where:
Base-Base interactions energy: -39.242
where: short stacking energy: -28.076
Base-Backbone interact. energy: -0.135
local terms energy: -51.063184
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -6.748
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: 8
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -81.524172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.524172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.524172 (E_RNA)
where:
Base-Base interactions energy: -30.727
where: short stacking energy: -31.727
Base-Backbone interact. energy: 1.057
local terms energy: -51.853407
where:
bonds (distance) C4'-P energy: -10.154
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -13.291
flat angles P-C4'-P energy: -11.978
tors. eta vs tors. theta energy: -2.194
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: 10
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -230.848341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.848341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.848341 (E_RNA)
where:
Base-Base interactions energy: -147.873
where: short stacking energy: -70.082
Base-Backbone interact. energy: -0.003
local terms energy: -82.972231
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.844
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -23.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -228.212614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.212614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.212614 (E_RNA)
where:
Base-Base interactions energy: -153.836
where: short stacking energy: -77.999
Base-Backbone interact. energy: -0.004
local terms energy: -74.372835
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -13.339
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -21.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -224.049157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.049157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.049157 (E_RNA)
where:
Base-Base interactions energy: -143.455
where: short stacking energy: -65.254
Base-Backbone interact. energy: -0.004
local terms energy: -80.590173
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -185.984385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.984385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.984385 (E_RNA)
where:
Base-Base interactions energy: -120.218
where: short stacking energy: -60.945
Base-Backbone interact. energy: -0.025
local terms energy: -65.741719
where:
bonds (distance) C4'-P energy: -8.978
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -15.620
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: 5, replica: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -195.702110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.702110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.702110 (E_RNA)
where:
Base-Base interactions energy: -128.279
where: short stacking energy: -53.291
Base-Backbone interact. energy: -0.157
local terms energy: -67.266320
where:
bonds (distance) C4'-P energy: -11.453
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -12.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -186.581934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.581934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.581934 (E_RNA)
where:
Base-Base interactions energy: -115.024
where: short stacking energy: -51.640
Base-Backbone interact. energy: -0.028
local terms energy: -71.529156
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -13.088
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: 7, replica: 5
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -170.799826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.799826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.799826 (E_RNA)
where:
Base-Base interactions energy: -119.442
where: short stacking energy: -50.009
Base-Backbone interact. energy: -1.065
local terms energy: -50.292332
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -9.863
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -103.819859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.819859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.819859 (E_RNA)
where:
Base-Base interactions energy: -48.876
where: short stacking energy: -36.001
Base-Backbone interact. energy: -0.094
local terms energy: -54.849538
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -13.933
flat angles P-C4'-P energy: -5.416
tors. eta vs tors. theta energy: -1.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -82.918642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.918642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.918642 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -33.421
Base-Backbone interact. energy: -0.067
local terms energy: -46.154552
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -5.103
flat angles P-C4'-P energy: -5.782
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -71.846428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.846428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.846428 (E_RNA)
where:
Base-Base interactions energy: -21.846
where: short stacking energy: -18.450
Base-Backbone interact. energy: -0.062
local terms energy: -49.938886
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -232.635790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.635790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.635790 (E_RNA)
where:
Base-Base interactions energy: -153.218
where: short stacking energy: -68.523
Base-Backbone interact. energy: -0.113
local terms energy: -79.305074
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -228.088155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.088155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.088155 (E_RNA)
where:
Base-Base interactions energy: -147.648
where: short stacking energy: -69.379
Base-Backbone interact. energy: -0.000
local terms energy: -80.440078
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -20.025
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: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -226.431030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.431030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.431030 (E_RNA)
where:
Base-Base interactions energy: -150.092
where: short stacking energy: -69.412
Base-Backbone interact. energy: -0.155
local terms energy: -76.184155
where:
bonds (distance) C4'-P energy: -15.717
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -9.858
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: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -195.967021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.967021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.967021 (E_RNA)
where:
Base-Base interactions energy: -124.076
where: short stacking energy: -62.109
Base-Backbone interact. energy: -0.011
local terms energy: -71.880671
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -16.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -186.303021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.303021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.303021 (E_RNA)
where:
Base-Base interactions energy: -117.492
where: short stacking energy: -64.107
Base-Backbone interact. energy: -0.002
local terms energy: -68.808881
where:
bonds (distance) C4'-P energy: -14.584
bonds (distance) P-C4' energy: -9.846
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -16.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -181.839115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.839115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.839115 (E_RNA)
where:
Base-Base interactions energy: -118.457
where: short stacking energy: -55.915
Base-Backbone interact. energy: -0.515
local terms energy: -62.867099
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -12.617
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -173.031365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.031365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.031365 (E_RNA)
where:
Base-Base interactions energy: -107.305
where: short stacking energy: -47.006
Base-Backbone interact. energy: -0.093
local terms energy: -65.633848
where:
bonds (distance) C4'-P energy: -14.475
bonds (distance) P-C4' energy: -12.412
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -14.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -89.568070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.568070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.568070 (E_RNA)
where:
Base-Base interactions energy: -40.434
where: short stacking energy: -38.274
Base-Backbone interact. energy: -0.033
local terms energy: -49.100823
where:
bonds (distance) C4'-P energy: -11.034
bonds (distance) P-C4' energy: -10.627
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -6.655
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -96.153304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.153304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.153304 (E_RNA)
where:
Base-Base interactions energy: -53.168
where: short stacking energy: -32.688
Base-Backbone interact. energy: 0.405
local terms energy: -43.389928
where:
bonds (distance) C4'-P energy: -10.558
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -13.128
flat angles P-C4'-P energy: -4.182
tors. eta vs tors. theta energy: -0.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -81.429911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.429911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.429911 (E_RNA)
where:
Base-Base interactions energy: -32.718
where: short stacking energy: -31.902
Base-Backbone interact. energy: -0.632
local terms energy: -48.079444
where:
bonds (distance) C4'-P energy: -11.912
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -5.603
tors. eta vs tors. theta energy: -8.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -225.962474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.962474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.962474 (E_RNA)
where:
Base-Base interactions energy: -148.634
where: short stacking energy: -73.807
Base-Backbone interact. energy: -0.003
local terms energy: -77.325717
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: -20.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -226.048686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.048686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.048686 (E_RNA)
where:
Base-Base interactions energy: -154.749
where: short stacking energy: -80.724
Base-Backbone interact. energy: -0.007
local terms energy: -71.292759
where:
bonds (distance) C4'-P energy: -9.395
bonds (distance) P-C4' energy: -12.506
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -12.731
tors. eta vs tors. theta energy: -22.706
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: 2
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -229.284113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.284113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.284113 (E_RNA)
where:
Base-Base interactions energy: -144.683
where: short stacking energy: -77.463
Base-Backbone interact. energy: -0.001
local terms energy: -84.600141
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -199.435093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.435093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.435093 (E_RNA)
where:
Base-Base interactions energy: -128.145
where: short stacking energy: -67.140
Base-Backbone interact. energy: -0.000
local terms energy: -71.289900
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -14.598
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -8.515
tors. eta vs tors. theta energy: -18.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -192.128534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.128534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.128534 (E_RNA)
where:
Base-Base interactions energy: -128.861
where: short stacking energy: -60.856
Base-Backbone interact. energy: -0.114
local terms energy: -63.153486
where:
bonds (distance) C4'-P energy: -15.844
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -11.477
flat angles P-C4'-P energy: -7.800
tors. eta vs tors. theta energy: -14.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -174.695501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.695501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.695501 (E_RNA)
where:
Base-Base interactions energy: -119.388
where: short stacking energy: -53.687
Base-Backbone interact. energy: -0.021
local terms energy: -55.286776
where:
bonds (distance) C4'-P energy: -10.182
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -7.923
flat angles P-C4'-P energy: -5.417
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -163.535733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.535733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.535733 (E_RNA)
where:
Base-Base interactions energy: -102.374
where: short stacking energy: -53.854
Base-Backbone interact. energy: -0.156
local terms energy: -61.005552
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -13.985
flat angles P-C4'-P energy: -7.306
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: 8, replica: 8
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -113.410541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.410541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.410541 (E_RNA)
where:
Base-Base interactions energy: -61.432
where: short stacking energy: -44.755
Base-Backbone interact. energy: -0.164
local terms energy: -51.814742
where:
bonds (distance) C4'-P energy: -7.930
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -9.678
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: 9
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -84.443062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.443062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.443062 (E_RNA)
where:
Base-Base interactions energy: -32.670
where: short stacking energy: -30.579
Base-Backbone interact. energy: -0.020
local terms energy: -51.753568
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -13.572
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -6.665
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -79.111596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.111596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.111596 (E_RNA)
where:
Base-Base interactions energy: -27.021
where: short stacking energy: -22.911
Base-Backbone interact. energy: -0.273
local terms energy: -51.818150
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -3.413
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: 1, replica: 10
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -228.435540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.435540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.435540 (E_RNA)
where:
Base-Base interactions energy: -146.556
where: short stacking energy: -68.831
Base-Backbone interact. energy: -0.076
local terms energy: -81.803699
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -17.857
flat angles P-C4'-P energy: -12.106
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: 2, replica: 7
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -211.911854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.911854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.911854 (E_RNA)
where:
Base-Base interactions energy: -150.562
where: short stacking energy: -66.736
Base-Backbone interact. energy: -0.129
local terms energy: -61.220576
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -7.702
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -16.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -224.470260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.470260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.470260 (E_RNA)
where:
Base-Base interactions energy: -147.430
where: short stacking energy: -66.713
Base-Backbone interact. energy: -0.146
local terms energy: -76.894972
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -16.684
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -11.695
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: 3
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -196.616042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.616042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.616042 (E_RNA)
where:
Base-Base interactions energy: -125.747
where: short stacking energy: -57.521
Base-Backbone interact. energy: -0.590
local terms energy: -70.278260
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -16.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -184.276552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.276552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.276552 (E_RNA)
where:
Base-Base interactions energy: -119.736
where: short stacking energy: -55.812
Base-Backbone interact. energy: -0.005
local terms energy: -64.536013
where:
bonds (distance) C4'-P energy: -15.377
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -7.994
tors. eta vs tors. theta energy: -13.804
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: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -177.672849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.672849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.672849 (E_RNA)
where:
Base-Base interactions energy: -109.035
where: short stacking energy: -49.683
Base-Backbone interact. energy: -0.081
local terms energy: -68.557147
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -16.246
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -17.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -170.972926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.972926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.972926 (E_RNA)
where:
Base-Base interactions energy: -104.559
where: short stacking energy: -49.795
Base-Backbone interact. energy: -0.185
local terms energy: -66.228995
where:
bonds (distance) C4'-P energy: -11.340
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.946
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -15.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -99.894816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894816 (E_RNA)
where:
Base-Base interactions energy: -47.615
where: short stacking energy: -27.199
Base-Backbone interact. energy: -1.010
local terms energy: -51.269315
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -11.158
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -9.566
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: 4
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -80.770974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.770974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.770974 (E_RNA)
where:
Base-Base interactions energy: -31.016
where: short stacking energy: -30.115
Base-Backbone interact. energy: -0.132
local terms energy: -49.622890
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -7.516
flat angles P-C4'-P energy: -3.365
tors. eta vs tors. theta energy: -7.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -79.026502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.026502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.026502 (E_RNA)
where:
Base-Base interactions energy: -36.294
where: short stacking energy: -20.468
Base-Backbone interact. energy: -0.165
local terms energy: -42.567256
where:
bonds (distance) C4'-P energy: -11.112
bonds (distance) P-C4' energy: -10.244
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -4.238
tors. eta vs tors. theta energy: -2.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -227.332165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.332165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.332165 (E_RNA)
where:
Base-Base interactions energy: -155.606
where: short stacking energy: -72.011
Base-Backbone interact. energy: -0.122
local terms energy: -71.604245
where:
bonds (distance) C4'-P energy: -14.264
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -7.399
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -227.872318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.872318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.872318 (E_RNA)
where:
Base-Base interactions energy: -152.309
where: short stacking energy: -76.132
Base-Backbone interact. energy: -0.412
local terms energy: -75.151921
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -13.953
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -21.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -215.911633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.911633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.911633 (E_RNA)
where:
Base-Base interactions energy: -139.422
where: short stacking energy: -62.282
Base-Backbone interact. energy: -0.634
local terms energy: -75.854984
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -185.723111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.723111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.723111 (E_RNA)
where:
Base-Base interactions energy: -122.847
where: short stacking energy: -61.629
Base-Backbone interact. energy: -0.133
local terms energy: -62.742840
where:
bonds (distance) C4'-P energy: -9.892
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -11.980
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: 5, replica: 3
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -179.390483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.390483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.390483 (E_RNA)
where:
Base-Base interactions energy: -106.736
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.038
local terms energy: -72.616771
where:
bonds (distance) C4'-P energy: -15.121
bonds (distance) P-C4' energy: -17.063
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -14.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -170.014619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.014619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.014619 (E_RNA)
where:
Base-Base interactions energy: -109.833
where: short stacking energy: -54.466
Base-Backbone interact. energy: -0.251
local terms energy: -59.930304
where:
bonds (distance) C4'-P energy: -11.417
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -7.657
tors. eta vs tors. theta energy: -14.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -172.697286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.697286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.697286 (E_RNA)
where:
Base-Base interactions energy: -118.232
where: short stacking energy: -47.625
Base-Backbone interact. energy: -0.473
local terms energy: -53.992788
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -6.434
tors. eta vs tors. theta energy: -7.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -89.953192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.953192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.953192 (E_RNA)
where:
Base-Base interactions energy: -40.094
where: short stacking energy: -40.094
Base-Backbone interact. energy: -0.045
local terms energy: -49.814909
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -11.628
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -6.362
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -84.321256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.321256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.321256 (E_RNA)
where:
Base-Base interactions energy: -33.338
where: short stacking energy: -25.546
Base-Backbone interact. energy: -0.051
local terms energy: -50.931978
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -8.914
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -7.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -80.269182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.269182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.269182 (E_RNA)
where:
Base-Base interactions energy: -39.683
where: short stacking energy: -39.553
Base-Backbone interact. energy: -0.064
local terms energy: -40.522101
where:
bonds (distance) C4'-P energy: -12.807
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -10.023
flat angles P-C4'-P energy: 2.071
tors. eta vs tors. theta energy: -6.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -233.459615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.459615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.459615 (E_RNA)
where:
Base-Base interactions energy: -154.195
where: short stacking energy: -75.297
Base-Backbone interact. energy: -0.000
local terms energy: -79.264591
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -19.545
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: 10
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -217.236350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.236350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.236350 (E_RNA)
where:
Base-Base interactions energy: -135.915
where: short stacking energy: -67.096
Base-Backbone interact. energy: -0.698
local terms energy: -80.623742
where:
bonds (distance) C4'-P energy: -10.774
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.766
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -223.947555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.947555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.947555 (E_RNA)
where:
Base-Base interactions energy: -149.862
where: short stacking energy: -66.530
Base-Backbone interact. energy: 0.615
local terms energy: -74.700707
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -13.245
tors. eta vs tors. theta energy: -17.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -181.248883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.248883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.248883 (E_RNA)
where:
Base-Base interactions energy: -115.285
where: short stacking energy: -52.754
Base-Backbone interact. energy: -0.293
local terms energy: -65.670207
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -15.038
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -15.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -181.208390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.208390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.208390 (E_RNA)
where:
Base-Base interactions energy: -119.419
where: short stacking energy: -58.174
Base-Backbone interact. energy: -0.205
local terms energy: -61.583879
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -15.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -182.391455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.391455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.391455 (E_RNA)
where:
Base-Base interactions energy: -121.349
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.059
local terms energy: -60.982797
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -12.996
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -170.284075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.284075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.284075 (E_RNA)
where:
Base-Base interactions energy: -109.590
where: short stacking energy: -50.547
Base-Backbone interact. energy: -0.051
local terms energy: -60.642983
where:
bonds (distance) C4'-P energy: -10.109
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.571
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -12.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -86.318123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.318123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.318123 (E_RNA)
where:
Base-Base interactions energy: -31.336
where: short stacking energy: -31.336
Base-Backbone interact. energy: -0.063
local terms energy: -54.919863
where:
bonds (distance) C4'-P energy: -17.762
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -10.353
flat angles P-C4'-P energy: -7.468
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -99.307835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.307835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.307835 (E_RNA)
where:
Base-Base interactions energy: -53.304
where: short stacking energy: -27.264
Base-Backbone interact. energy: -0.067
local terms energy: -45.936306
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -4.444
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: 10, replica: 8
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -73.333159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.333159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.333159 (E_RNA)
where:
Base-Base interactions energy: -32.353
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.071
local terms energy: -40.908905
where:
bonds (distance) C4'-P energy: -8.671
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -12.236
flat angles P-C4'-P energy: -4.017
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: 1, replica: 2
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -234.565223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.565223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.565223 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.002
local terms energy: -78.874691
where:
bonds (distance) C4'-P energy: -17.167
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -22.907
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: 7
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -224.469280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.469280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.469280 (E_RNA)
where:
Base-Base interactions energy: -150.171
where: short stacking energy: -75.864
Base-Backbone interact. energy: -0.001
local terms energy: -74.297105
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -21.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -225.285944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.285944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.285944 (E_RNA)
where:
Base-Base interactions energy: -148.904
where: short stacking energy: -73.942
Base-Backbone interact. energy: -0.000
local terms energy: -76.381141
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -21.216
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: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -190.156882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.156882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.156882 (E_RNA)
where:
Base-Base interactions energy: -120.422
where: short stacking energy: -62.029
Base-Backbone interact. energy: 1.357
local terms energy: -71.091671
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -14.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -176.214883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.214883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.214883 (E_RNA)
where:
Base-Base interactions energy: -109.966
where: short stacking energy: -51.836
Base-Backbone interact. energy: -1.494
local terms energy: -64.755041
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -9.706
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -11.980
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: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -183.063132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.063132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.063132 (E_RNA)
where:
Base-Base interactions energy: -118.530
where: short stacking energy: -49.473
Base-Backbone interact. energy: -0.062
local terms energy: -64.471278
where:
bonds (distance) C4'-P energy: -12.451
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -11.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -129.169449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.169449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.169449 (E_RNA)
where:
Base-Base interactions energy: -75.355
where: short stacking energy: -40.578
Base-Backbone interact. energy: 0.967
local terms energy: -54.781233
where:
bonds (distance) C4'-P energy: -12.087
bonds (distance) P-C4' energy: -13.089
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -8.994
tors. eta vs tors. theta energy: -7.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -97.383903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.383903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.383903 (E_RNA)
where:
Base-Base interactions energy: -37.457
where: short stacking energy: -37.457
Base-Backbone interact. energy: -0.002
local terms energy: -59.924956
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -13.273
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -10.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -74.164652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.164652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.164652 (E_RNA)
where:
Base-Base interactions energy: -28.894
where: short stacking energy: -27.839
Base-Backbone interact. energy: 0.116
local terms energy: -45.386239
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -5.783
tors. eta vs tors. theta energy: -1.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -76.588505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.588505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.588505 (E_RNA)
where:
Base-Base interactions energy: -34.275
where: short stacking energy: -24.096
Base-Backbone interact. energy: -0.631
local terms energy: -41.682522
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -13.875
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -2.851
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: 1, replica: 7
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -226.947304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.947304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.947304 (E_RNA)
where:
Base-Base interactions energy: -149.185
where: short stacking energy: -70.097
Base-Backbone interact. energy: -0.010
local terms energy: -77.752301
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -22.558
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: 472
Temperature: 0.950000
Total energy: -231.202567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.202567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.202567 (E_RNA)
where:
Base-Base interactions energy: -160.553
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.025
local terms energy: -70.624296
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -9.370
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -11.110
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: 3, replica: 10
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -221.734466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.734466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.734466 (E_RNA)
where:
Base-Base interactions energy: -147.562
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.001
local terms energy: -74.171847
where:
bonds (distance) C4'-P energy: -13.272
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -21.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -193.473389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.473389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.473389 (E_RNA)
where:
Base-Base interactions energy: -133.206
where: short stacking energy: -58.146
Base-Backbone interact. energy: -0.327
local terms energy: -59.940411
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -6.507
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -192.365932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.365932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.365932 (E_RNA)
where:
Base-Base interactions energy: -124.626
where: short stacking energy: -59.084
Base-Backbone interact. energy: 0.743
local terms energy: -68.482646
where:
bonds (distance) C4'-P energy: -14.641
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -12.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -177.917589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.917589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.917589 (E_RNA)
where:
Base-Base interactions energy: -112.039
where: short stacking energy: -54.578
Base-Backbone interact. energy: -0.443
local terms energy: -65.435508
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -11.241
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -16.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -114.876435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.876435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.876435 (E_RNA)
where:
Base-Base interactions energy: -60.728
where: short stacking energy: -37.000
Base-Backbone interact. energy: 1.161
local terms energy: -55.309492
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -10.991
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -6.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -95.707295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.707295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.707295 (E_RNA)
where:
Base-Base interactions energy: -41.878
where: short stacking energy: -41.878
Base-Backbone interact. energy: -0.010
local terms energy: -53.819632
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -10.296
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -4.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -91.713385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.713385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.713385 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -39.200
Base-Backbone interact. energy: 1.368
local terms energy: -53.881964
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -12.094
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -5.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -70.735803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -70.735803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -70.735803 (E_RNA)
where:
Base-Base interactions energy: -25.801
where: short stacking energy: -23.443
Base-Backbone interact. energy: 1.015
local terms energy: -45.949791
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -6.769
flat angles P-C4'-P energy: -7.355
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: 1, replica: 7
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -227.035039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.035039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.035039 (E_RNA)
where:
Base-Base interactions energy: -151.797
where: short stacking energy: -67.763
Base-Backbone interact. energy: -0.002
local terms energy: -75.235732
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -221.064908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.064908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.064908 (E_RNA)
where:
Base-Base interactions energy: -147.063
where: short stacking energy: -73.571
Base-Backbone interact. energy: -0.001
local terms energy: -74.000697
where:
bonds (distance) C4'-P energy: -11.130
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -12.623
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: 3, replica: 2
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -223.450571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.450571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.450571 (E_RNA)
where:
Base-Base interactions energy: -144.597
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.145
local terms energy: -78.708571
where:
bonds (distance) C4'-P energy: -13.568
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.446
flat angles P-C4'-P energy: -12.453
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: 4, replica: 6
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -203.420818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.420818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.420818 (E_RNA)
where:
Base-Base interactions energy: -131.114
where: short stacking energy: -61.548
Base-Backbone interact. energy: -0.975
local terms energy: -71.331024
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -15.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -192.555747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.555747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.555747 (E_RNA)
where:
Base-Base interactions energy: -125.993
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.232
local terms energy: -66.330450
where:
bonds (distance) C4'-P energy: -12.580
bonds (distance) P-C4' energy: -14.437
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -16.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -173.546978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.546978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.546978 (E_RNA)
where:
Base-Base interactions energy: -113.543
where: short stacking energy: -50.770
Base-Backbone interact. energy: -0.121
local terms energy: -59.882825
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -11.425
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -7.479
tors. eta vs tors. theta energy: -13.538
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: 473
Temperature: 1.200000
Total energy: -110.665507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.665507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.665507 (E_RNA)
where:
Base-Base interactions energy: -52.788
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.389
local terms energy: -57.488550
where:
bonds (distance) C4'-P energy: -12.003
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -9.978
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -9.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -92.629498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629498 (E_RNA)
where:
Base-Base interactions energy: -39.991
where: short stacking energy: -22.978
Base-Backbone interact. energy: -0.291
local terms energy: -52.346983
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -12.517
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -3.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -91.194925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.194925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.194925 (E_RNA)
where:
Base-Base interactions energy: -38.834
where: short stacking energy: -37.258
Base-Backbone interact. energy: -0.100
local terms energy: -52.261346
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -9.223
flat angles P-C4'-P energy: -9.720
tors. eta vs tors. theta energy: -6.603
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: 4
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -83.412130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.412130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.412130 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -23.932
Base-Backbone interact. energy: -0.154
local terms energy: -48.839925
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -12.994
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: 1.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -235.399366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.399366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.399366 (E_RNA)
where:
Base-Base interactions energy: -156.327
where: short stacking energy: -69.481
Base-Backbone interact. energy: -0.633
local terms energy: -78.439250
where:
bonds (distance) C4'-P energy: -11.627
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -227.686543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.686543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.686543 (E_RNA)
where:
Base-Base interactions energy: -147.081
where: short stacking energy: -69.146
Base-Backbone interact. energy: -0.004
local terms energy: -80.601471
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -22.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -222.925740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.925740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.925740 (E_RNA)
where:
Base-Base interactions energy: -147.831
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.009
local terms energy: -75.085060
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -19.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -194.720776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.720776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.720776 (E_RNA)
where:
Base-Base interactions energy: -121.396
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.008
local terms energy: -73.316556
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -18.849
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: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -185.972708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.972708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.972708 (E_RNA)
where:
Base-Base interactions energy: -118.145
where: short stacking energy: -54.363
Base-Backbone interact. energy: 0.241
local terms energy: -68.068404
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -7.602
tors. eta vs tors. theta energy: -13.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -176.332669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.332669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.332669 (E_RNA)
where:
Base-Base interactions energy: -110.967
where: short stacking energy: -53.435
Base-Backbone interact. energy: -0.001
local terms energy: -65.364792
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -16.544
flat angles P-C4'-P energy: -4.974
tors. eta vs tors. theta energy: -14.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -126.152728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.152728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.152728 (E_RNA)
where:
Base-Base interactions energy: -75.928
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.042
local terms energy: -50.182282
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -3.618
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: 5
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -98.632612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.632612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.632612 (E_RNA)
where:
Base-Base interactions energy: -44.564
where: short stacking energy: -33.293
Base-Backbone interact. energy: -0.114
local terms energy: -53.954993
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -113.118214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.118214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.118214 (E_RNA)
where:
Base-Base interactions energy: -58.245
where: short stacking energy: -35.875
Base-Backbone interact. energy: 0.376
local terms energy: -55.248883
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -15.000
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -2.425
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: 474
Temperature: 1.350000
Total energy: -72.844494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.844494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.844494 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -20.804
Base-Backbone interact. energy: -0.570
local terms energy: -44.786981
where:
bonds (distance) C4'-P energy: -13.220
bonds (distance) P-C4' energy: -15.246
flat angles C4'-P-C4' energy: -8.365
flat angles P-C4'-P energy: -6.855
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: 1, replica: 10
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -233.093572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.093572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.093572 (E_RNA)
where:
Base-Base interactions energy: -154.909
where: short stacking energy: -76.410
Base-Backbone interact. energy: -0.001
local terms energy: -78.183756
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -23.074
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: 475
Temperature: 0.950000
Total energy: -237.782213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.782213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.782213 (E_RNA)
where:
Base-Base interactions energy: -162.838
where: short stacking energy: -72.134
Base-Backbone interact. energy: -0.090
local terms energy: -74.854497
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -20.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -221.913210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.913210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.913210 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -72.789
Base-Backbone interact. energy: -0.004
local terms energy: -76.151378
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -9.530
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: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -198.185224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.185224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.185224 (E_RNA)
where:
Base-Base interactions energy: -129.054
where: short stacking energy: -70.653
Base-Backbone interact. energy: -0.015
local terms energy: -69.116382
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -11.484
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -16.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -196.419047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.419047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.419047 (E_RNA)
where:
Base-Base interactions energy: -122.237
where: short stacking energy: -59.777
Base-Backbone interact. energy: 0.235
local terms energy: -74.417063
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -17.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -177.856631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.856631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.856631 (E_RNA)
where:
Base-Base interactions energy: -119.098
where: short stacking energy: -44.528
Base-Backbone interact. energy: -0.065
local terms energy: -58.694115
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -14.401
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -9.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -130.974000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.974000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.974000 (E_RNA)
where:
Base-Base interactions energy: -75.875
where: short stacking energy: -37.456
Base-Backbone interact. energy: -0.198
local terms energy: -54.901286
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -4.222
tors. eta vs tors. theta energy: -4.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -89.934907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.934907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.934907 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -24.798
Base-Backbone interact. energy: -0.874
local terms energy: -49.937785
where:
bonds (distance) C4'-P energy: -14.451
bonds (distance) P-C4' energy: -12.169
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -10.022
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: 9, replica: 4
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -83.494666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.494666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.494666 (E_RNA)
where:
Base-Base interactions energy: -39.517
where: short stacking energy: -37.460
Base-Backbone interact. energy: -0.218
local terms energy: -43.760022
where:
bonds (distance) C4'-P energy: -7.674
bonds (distance) P-C4' energy: -16.841
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -3.314
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -77.037006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.037006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.037006 (E_RNA)
where:
Base-Base interactions energy: -41.546
where: short stacking energy: -28.627
Base-Backbone interact. energy: -0.341
local terms energy: -35.149473
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -9.052
flat angles C4'-P-C4' energy: -7.025
flat angles P-C4'-P energy: -6.184
tors. eta vs tors. theta energy: 0.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -231.928478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.928478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.928478 (E_RNA)
where:
Base-Base interactions energy: -155.901
where: short stacking energy: -71.429
Base-Backbone interact. energy: -0.029
local terms energy: -75.997905
where:
bonds (distance) C4'-P energy: -15.390
bonds (distance) P-C4' energy: -12.006
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -12.269
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: 2, replica: 2
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -226.140450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.140450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.140450 (E_RNA)
where:
Base-Base interactions energy: -146.190
where: short stacking energy: -69.090
Base-Backbone interact. energy: -0.348
local terms energy: -79.602156
where:
bonds (distance) C4'-P energy: -14.015
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -23.273
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: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -220.174846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.174846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.174846 (E_RNA)
where:
Base-Base interactions energy: -141.155
where: short stacking energy: -69.736
Base-Backbone interact. energy: -0.082
local terms energy: -78.938167
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -18.320
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: 4, replica: 1
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -195.489218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.489218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.489218 (E_RNA)
where:
Base-Base interactions energy: -126.370
where: short stacking energy: -62.401
Base-Backbone interact. energy: -0.840
local terms energy: -68.279100
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.983
tors. eta vs tors. theta energy: -16.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -184.885523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.885523 (E_RNA)
where:
Base-Base interactions energy: -128.224
where: short stacking energy: -56.811
Base-Backbone interact. energy: -0.493
local terms energy: -56.168000
where:
bonds (distance) C4'-P energy: -11.479
bonds (distance) P-C4' energy: -10.535
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -9.720
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: 6
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -172.077758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.077758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.077758 (E_RNA)
where:
Base-Base interactions energy: -105.882
where: short stacking energy: -50.599
Base-Backbone interact. energy: -0.127
local terms energy: -66.068578
where:
bonds (distance) C4'-P energy: -14.326
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -10.872
flat angles P-C4'-P energy: -10.204
tors. eta vs tors. theta energy: -14.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -149.894602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.894602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.894602 (E_RNA)
where:
Base-Base interactions energy: -94.715
where: short stacking energy: -48.143
Base-Backbone interact. energy: -0.085
local terms energy: -55.094455
where:
bonds (distance) C4'-P energy: -6.360
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -90.661864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.661864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.661864 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -35.374
Base-Backbone interact. energy: -0.878
local terms energy: -50.655160
where:
bonds (distance) C4'-P energy: -12.542
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -6.863
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -5.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -87.716308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.716308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.716308 (E_RNA)
where:
Base-Base interactions energy: -41.903
where: short stacking energy: -41.430
Base-Backbone interact. energy: -0.136
local terms energy: -45.676634
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -8.178
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -6.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -75.251175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.251175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.251175 (E_RNA)
where:
Base-Base interactions energy: -24.369
where: short stacking energy: -23.687
Base-Backbone interact. energy: -0.158
local terms energy: -50.723797
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -10.790
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -2.787
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: 10
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -233.232915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.232915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.232915 (E_RNA)
where:
Base-Base interactions energy: -155.281
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.001
local terms energy: -77.951656
where:
bonds (distance) C4'-P energy: -15.738
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -9.701
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: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -224.812014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.812014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.812014 (E_RNA)
where:
Base-Base interactions energy: -145.819
where: short stacking energy: -69.447
Base-Backbone interact. energy: -0.002
local terms energy: -78.991097
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.823
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -219.362470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.362470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.362470 (E_RNA)
where:
Base-Base interactions energy: -141.136
where: short stacking energy: -76.041
Base-Backbone interact. energy: -0.020
local terms energy: -78.205843
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.306
tors. eta vs tors. theta energy: -22.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -184.099388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.099388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.099388 (E_RNA)
where:
Base-Base interactions energy: -121.627
where: short stacking energy: -49.383
Base-Backbone interact. energy: 0.183
local terms energy: -62.655452
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -9.550
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -12.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -188.237573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.237573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.237573 (E_RNA)
where:
Base-Base interactions energy: -124.433
where: short stacking energy: -60.954
Base-Backbone interact. energy: 0.518
local terms energy: -64.322835
where:
bonds (distance) C4'-P energy: -9.214
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.883
tors. eta vs tors. theta energy: -15.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -184.633668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.633668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.633668 (E_RNA)
where:
Base-Base interactions energy: -122.339
where: short stacking energy: -57.210
Base-Backbone interact. energy: -0.781
local terms energy: -61.513741
where:
bonds (distance) C4'-P energy: -14.099
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -10.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -120.606569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.606569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.606569 (E_RNA)
where:
Base-Base interactions energy: -62.031
where: short stacking energy: -39.476
Base-Backbone interact. energy: -0.091
local terms energy: -58.484379
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -10.502
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -8.877
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: 477
Temperature: 1.250000
Total energy: -89.356632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.356632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.356632 (E_RNA)
where:
Base-Base interactions energy: -32.955
where: short stacking energy: -28.840
Base-Backbone interact. energy: -0.233
local terms energy: -56.167762
where:
bonds (distance) C4'-P energy: -11.299
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -10.614
flat angles P-C4'-P energy: -10.618
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: 9, replica: 5
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -77.999819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.999819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.999819 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -27.077
Base-Backbone interact. energy: -0.350
local terms energy: -48.759159
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -13.226
flat angles C4'-P-C4' energy: -12.261
flat angles P-C4'-P energy: -4.503
tors. eta vs tors. theta energy: -4.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -76.269363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.269363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.269363 (E_RNA)
where:
Base-Base interactions energy: -28.378
where: short stacking energy: -27.534
Base-Backbone interact. energy: -0.220
local terms energy: -47.670979
where:
bonds (distance) C4'-P energy: -11.549
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -10.308
flat angles P-C4'-P energy: -5.553
tors. eta vs tors. theta energy: -3.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -229.668943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.668943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.668943 (E_RNA)
where:
Base-Base interactions energy: -151.861
where: short stacking energy: -77.802
Base-Backbone interact. energy: 0.204
local terms energy: -78.011407
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -11.058
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -12.646
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: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -219.928767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.928767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.928767 (E_RNA)
where:
Base-Base interactions energy: -147.549
where: short stacking energy: -67.278
Base-Backbone interact. energy: -0.034
local terms energy: -72.345650
where:
bonds (distance) C4'-P energy: -12.952
bonds (distance) P-C4' energy: -16.136
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -209.728647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.728647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.728647 (E_RNA)
where:
Base-Base interactions energy: -140.857
where: short stacking energy: -58.489
Base-Backbone interact. energy: -0.468
local terms energy: -68.403778
where:
bonds (distance) C4'-P energy: -11.562
bonds (distance) P-C4' energy: -13.791
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -10.304
tors. eta vs tors. theta energy: -18.320
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: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -183.036213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.036213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.036213 (E_RNA)
where:
Base-Base interactions energy: -120.846
where: short stacking energy: -58.464
Base-Backbone interact. energy: -0.170
local terms energy: -62.020693
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.368
flat angles P-C4'-P energy: -3.052
tors. eta vs tors. theta energy: -16.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -181.426223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.426223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.426223 (E_RNA)
where:
Base-Base interactions energy: -114.487
where: short stacking energy: -60.116
Base-Backbone interact. energy: 0.860
local terms energy: -67.798732
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -12.658
flat angles P-C4'-P energy: -10.233
tors. eta vs tors. theta energy: -12.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -174.262413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.262413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.262413 (E_RNA)
where:
Base-Base interactions energy: -108.392
where: short stacking energy: -51.121
Base-Backbone interact. energy: -0.119
local terms energy: -65.751346
where:
bonds (distance) C4'-P energy: -13.134
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -16.097
flat angles P-C4'-P energy: -8.086
tors. eta vs tors. theta energy: -12.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -108.958752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.958752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.958752 (E_RNA)
where:
Base-Base interactions energy: -53.810
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.058
local terms energy: -55.090557
where:
bonds (distance) C4'-P energy: -9.958
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.859
tors. eta vs tors. theta energy: -8.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -89.609807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.609807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.609807 (E_RNA)
where:
Base-Base interactions energy: -40.378
where: short stacking energy: -36.685
Base-Backbone interact. energy: 0.496
local terms energy: -49.727569
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -13.350
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -3.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -81.080933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.080933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.080933 (E_RNA)
where:
Base-Base interactions energy: -32.331
where: short stacking energy: -24.943
Base-Backbone interact. energy: -0.849
local terms energy: -47.900486
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -83.184686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.184686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.184686 (E_RNA)
where:
Base-Base interactions energy: -28.678
where: short stacking energy: -28.678
Base-Backbone interact. energy: 0.587
local terms energy: -55.094375
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -6.722
flat angles P-C4'-P energy: -6.238
tors. eta vs tors. theta energy: -9.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -229.146986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.146986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.146986 (E_RNA)
where:
Base-Base interactions energy: -150.371
where: short stacking energy: -68.280
Base-Backbone interact. energy: 0.231
local terms energy: -79.006689
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -13.568
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -12.137
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: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -218.512853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.512853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.512853 (E_RNA)
where:
Base-Base interactions energy: -139.173
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.634
local terms energy: -78.705431
where:
bonds (distance) C4'-P energy: -14.114
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -12.493
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: 7
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -225.519244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.519244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.519244 (E_RNA)
where:
Base-Base interactions energy: -151.732
where: short stacking energy: -67.912
Base-Backbone interact. energy: -0.005
local terms energy: -73.781869
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -10.053
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -203.887569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.887569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.887569 (E_RNA)
where:
Base-Base interactions energy: -136.009
where: short stacking energy: -64.246
Base-Backbone interact. energy: -0.005
local terms energy: -67.873348
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.767
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -191.799070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.799070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.799070 (E_RNA)
where:
Base-Base interactions energy: -118.635
where: short stacking energy: -58.635
Base-Backbone interact. energy: 0.385
local terms energy: -73.549203
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -18.114
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: 6, replica: 3
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -176.418167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.418167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.418167 (E_RNA)
where:
Base-Base interactions energy: -110.308
where: short stacking energy: -48.610
Base-Backbone interact. energy: -0.298
local terms energy: -65.811716
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -9.586
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: 479
Temperature: 1.200000
Total energy: -111.430035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.430035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.430035 (E_RNA)
where:
Base-Base interactions energy: -52.883
where: short stacking energy: -34.472
Base-Backbone interact. energy: -1.201
local terms energy: -57.345898
where:
bonds (distance) C4'-P energy: -13.634
bonds (distance) P-C4' energy: -10.479
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -8.423
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: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -103.084896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.084896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.084896 (E_RNA)
where:
Base-Base interactions energy: -52.587
where: short stacking energy: -26.947
Base-Backbone interact. energy: 0.444
local terms energy: -50.941588
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -11.172
flat angles P-C4'-P energy: -3.969
tors. eta vs tors. theta energy: -3.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -86.206209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.206209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.206209 (E_RNA)
where:
Base-Base interactions energy: -31.686
where: short stacking energy: -28.618
Base-Backbone interact. energy: 0.446
local terms energy: -54.966276
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -13.488
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -8.022
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: 5
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -79.080159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080159 (E_RNA)
where:
Base-Base interactions energy: -32.999
where: short stacking energy: -19.530
Base-Backbone interact. energy: -0.179
local terms energy: -45.902856
where:
bonds (distance) C4'-P energy: -9.927
bonds (distance) P-C4' energy: -11.986
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -7.088
tors. eta vs tors. theta energy: -1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -235.541023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.541023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.541023 (E_RNA)
where:
Base-Base interactions energy: -156.451
where: short stacking energy: -79.347
Base-Backbone interact. energy: -0.184
local terms energy: -78.906158
where:
bonds (distance) C4'-P energy: -13.991
bonds (distance) P-C4' energy: -17.084
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -12.353
tors. eta vs tors. theta energy: -19.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -223.621969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.621969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.621969 (E_RNA)
where:
Base-Base interactions energy: -143.022
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.312
local terms energy: -80.288411
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -11.837
tors. eta vs tors. theta energy: -22.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -223.577239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.577239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.577239 (E_RNA)
where:
Base-Base interactions energy: -150.104
where: short stacking energy: -70.079
Base-Backbone interact. energy: -0.000
local terms energy: -73.473347
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -13.283
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -12.390
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: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -186.907138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.907138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.907138 (E_RNA)
where:
Base-Base interactions energy: -117.238
where: short stacking energy: -55.987
Base-Backbone interact. energy: -0.110
local terms energy: -69.559182
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.883
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -14.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -180.269977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.269977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.269977 (E_RNA)
where:
Base-Base interactions energy: -116.402
where: short stacking energy: -57.192
Base-Backbone interact. energy: -0.110
local terms energy: -63.758202
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -9.872
tors. eta vs tors. theta energy: -11.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -176.482759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.482759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.482759 (E_RNA)
where:
Base-Base interactions energy: -109.515
where: short stacking energy: -46.151
Base-Backbone interact. energy: -0.000
local terms energy: -66.967602
where:
bonds (distance) C4'-P energy: -11.714
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -14.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -101.042941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.042941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.042941 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -36.187
Base-Backbone interact. energy: -0.192
local terms energy: -63.677468
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -92.017758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.017758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.017758 (E_RNA)
where:
Base-Base interactions energy: -35.339
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.002
local terms energy: -56.676474
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -7.378
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: 4
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -76.409203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.409203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.409203 (E_RNA)
where:
Base-Base interactions energy: -29.872
where: short stacking energy: -15.933
Base-Backbone interact. energy: 0.051
local terms energy: -46.588005
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -4.025
tors. eta vs tors. theta energy: 2.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -83.772335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.772335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.772335 (E_RNA)
where:
Base-Base interactions energy: -29.314
where: short stacking energy: -21.156
Base-Backbone interact. energy: -0.014
local terms energy: -54.444637
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -12.151
flat angles C4'-P-C4' energy: -11.862
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -3.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -229.170550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.170550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.170550 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -70.926
Base-Backbone interact. energy: -0.871
local terms energy: -79.686671
where:
bonds (distance) C4'-P energy: -12.605
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -12.020
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: 7
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -230.012537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.012537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.012537 (E_RNA)
where:
Base-Base interactions energy: -151.092
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.578
local terms energy: -78.342583
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -12.814
flat angles P-C4'-P energy: -10.753
tors. eta vs tors. theta energy: -21.073
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: 10
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -222.734305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.734305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.734305 (E_RNA)
where:
Base-Base interactions energy: -145.973
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.123
local terms energy: -76.637943
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -189.594192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.594192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.594192 (E_RNA)
where:
Base-Base interactions energy: -118.007
where: short stacking energy: -64.613
Base-Backbone interact. energy: -0.028
local terms energy: -71.558635
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -16.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -178.006872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.006872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.006872 (E_RNA)
where:
Base-Base interactions energy: -118.501
where: short stacking energy: -49.954
Base-Backbone interact. energy: -0.080
local terms energy: -59.425718
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -14.206
flat angles C4'-P-C4' energy: -7.264
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -175.696309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.696309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.696309 (E_RNA)
where:
Base-Base interactions energy: -116.343
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.008
local terms energy: -59.344858
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -14.005
flat angles C4'-P-C4' energy: -16.351
flat angles P-C4'-P energy: -1.970
tors. eta vs tors. theta energy: -11.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -87.788407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.788407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.788407 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -30.971
Base-Backbone interact. energy: -0.041
local terms energy: -56.776321
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: -3.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -84.942246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.942246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.942246 (E_RNA)
where:
Base-Base interactions energy: -31.087
where: short stacking energy: -30.747
Base-Backbone interact. energy: -0.298
local terms energy: -53.556914
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -8.726
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -9.537
tors. eta vs tors. theta energy: -7.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -85.877717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.877717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.877717 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.125
local terms energy: -48.783180
where:
bonds (distance) C4'-P energy: -8.865
bonds (distance) P-C4' energy: -13.817
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -6.118
tors. eta vs tors. theta energy: -7.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -88.318888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.318888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.318888 (E_RNA)
where:
Base-Base interactions energy: -44.612
where: short stacking energy: -35.859
Base-Backbone interact. energy: -0.084
local terms energy: -43.622963
where:
bonds (distance) C4'-P energy: -6.033
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -7.072
tors. eta vs tors. theta energy: -5.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -231.360779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.360779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.360779 (E_RNA)
where:
Base-Base interactions energy: -151.898
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.003
local terms energy: -79.459681
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -22.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -221.671842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.671842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.671842 (E_RNA)
where:
Base-Base interactions energy: -148.739
where: short stacking energy: -72.306
Base-Backbone interact. energy: -1.208
local terms energy: -71.725805
where:
bonds (distance) C4'-P energy: -12.017
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -17.619
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -20.008
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: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -196.779204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.779204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.779204 (E_RNA)
where:
Base-Base interactions energy: -127.997
where: short stacking energy: -50.281
Base-Backbone interact. energy: -0.552
local terms energy: -68.230780
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -11.935
flat angles C4'-P-C4' energy: -15.559
flat angles P-C4'-P energy: -8.998
tors. eta vs tors. theta energy: -15.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -214.291282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.291282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.291282 (E_RNA)
where:
Base-Base interactions energy: -137.727
where: short stacking energy: -59.802
Base-Backbone interact. energy: -0.071
local terms energy: -76.493310
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -179.661498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.661498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.661498 (E_RNA)
where:
Base-Base interactions energy: -110.919
where: short stacking energy: -52.252
Base-Backbone interact. energy: 1.291
local terms energy: -70.033610
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -167.646680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.646680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.646680 (E_RNA)
where:
Base-Base interactions energy: -102.225
where: short stacking energy: -44.470
Base-Backbone interact. energy: -0.267
local terms energy: -65.154586
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -16.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -97.927948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.927948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.927948 (E_RNA)
where:
Base-Base interactions energy: -41.320
where: short stacking energy: -41.320
Base-Backbone interact. energy: -0.048
local terms energy: -56.559793
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -12.278
flat angles C4'-P-C4' energy: -13.053
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -9.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -93.592060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.592060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.592060 (E_RNA)
where:
Base-Base interactions energy: -42.753
where: short stacking energy: -26.322
Base-Backbone interact. energy: -0.443
local terms energy: -50.396717
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -7.136
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -7.551
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: 5
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -83.833040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833040 (E_RNA)
where:
Base-Base interactions energy: -28.183
where: short stacking energy: -25.685
Base-Backbone interact. energy: -0.044
local terms energy: -55.606375
where:
bonds (distance) C4'-P energy: -12.606
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -9.931
tors. eta vs tors. theta energy: -0.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -71.765363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.765363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.765363 (E_RNA)
where:
Base-Base interactions energy: -35.384
where: short stacking energy: -26.934
Base-Backbone interact. energy: 0.542
local terms energy: -36.922807
where:
bonds (distance) C4'-P energy: -3.072
bonds (distance) P-C4' energy: -8.183
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -6.240
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: 7
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -231.487744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.487744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.487744 (E_RNA)
where:
Base-Base interactions energy: -156.098
where: short stacking energy: -71.402
Base-Backbone interact. energy: -0.010
local terms energy: -75.379727
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -14.256
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: -22.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -233.887885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.887885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.887885 (E_RNA)
where:
Base-Base interactions energy: -153.534
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.001
local terms energy: -80.353659
where:
bonds (distance) C4'-P energy: -16.541
bonds (distance) P-C4' energy: -14.213
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -19.908
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: 3, replica: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -200.996026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.996026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.996026 (E_RNA)
where:
Base-Base interactions energy: -130.466
where: short stacking energy: -55.736
Base-Backbone interact. energy: -0.008
local terms energy: -70.522450
where:
bonds (distance) C4'-P energy: -15.200
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -11.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -199.815681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.815681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.815681 (E_RNA)
where:
Base-Base interactions energy: -126.573
where: short stacking energy: -64.542
Base-Backbone interact. energy: -0.059
local terms energy: -73.183726
where:
bonds (distance) C4'-P energy: -16.661
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: -19.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -189.044276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.044276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.044276 (E_RNA)
where:
Base-Base interactions energy: -117.931
where: short stacking energy: -56.753
Base-Backbone interact. energy: -0.041
local terms energy: -71.072373
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -11.118
tors. eta vs tors. theta energy: -15.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -175.412170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.412170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.412170 (E_RNA)
where:
Base-Base interactions energy: -105.896
where: short stacking energy: -54.858
Base-Backbone interact. energy: -0.152
local terms energy: -69.364508
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -15.745
flat angles C4'-P-C4' energy: -12.369
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -16.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -93.398082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.398082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.398082 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -33.374
Base-Backbone interact. energy: -0.239
local terms energy: -59.785078
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -11.864
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -11.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -85.333917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.333917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.333917 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -17.779
Base-Backbone interact. energy: -0.201
local terms energy: -54.159583
where:
bonds (distance) C4'-P energy: -13.486
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -13.555
flat angles P-C4'-P energy: -6.831
tors. eta vs tors. theta energy: -3.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -106.231995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.231995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.231995 (E_RNA)
where:
Base-Base interactions energy: -52.539
where: short stacking energy: -43.560
Base-Backbone interact. energy: -0.037
local terms energy: -53.655764
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -13.627
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -4.678
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: 10, replica: 9
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -71.799608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -71.799608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -71.799608 (E_RNA)
where:
Base-Base interactions energy: -27.725
where: short stacking energy: -23.178
Base-Backbone interact. energy: -0.818
local terms energy: -43.256543
where:
bonds (distance) C4'-P energy: -7.242
bonds (distance) P-C4' energy: -11.745
flat angles C4'-P-C4' energy: -13.589
flat angles P-C4'-P energy: -5.686
tors. eta vs tors. theta energy: -4.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
out arg RESULTS//1/USUV-6fb7c079_01
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 2
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -232.064568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.064568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.064568 (E_RNA)
where:
Base-Base interactions energy: -147.950
where: short stacking energy: -75.201
Base-Backbone interact. energy: -0.255
local terms energy: -83.860232
where:
bonds (distance) C4'-P energy: -15.018
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -21.685
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: 7
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -226.762436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.762436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.762436 (E_RNA)
where:
Base-Base interactions energy: -152.063
where: short stacking energy: -70.281
Base-Backbone interact. energy: -0.006
local terms energy: -74.693080
where:
bonds (distance) C4'-P energy: -14.069
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -15.213
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -19.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -190.058914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.058914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.058914 (E_RNA)
where:
Base-Base interactions energy: -115.638
where: short stacking energy: -56.514
Base-Backbone interact. energy: -0.264
local terms energy: -74.156232
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -12.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -199.890108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.890108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.890108 (E_RNA)
where:
Base-Base interactions energy: -133.761
where: short stacking energy: -59.618
Base-Backbone interact. energy: -0.165
local terms energy: -65.963776
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -11.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -195.146404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.146404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.146404 (E_RNA)
where:
Base-Base interactions energy: -130.846
where: short stacking energy: -59.779
Base-Backbone interact. energy: -0.374
local terms energy: -63.925702
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -7.371
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: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -170.167424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.167424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.167424 (E_RNA)
where:
Base-Base interactions energy: -104.483
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.044
local terms energy: -65.640681
where:
bonds (distance) C4'-P energy: -14.062
bonds (distance) P-C4' energy: -15.189
flat angles C4'-P-C4' energy: -9.024
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -91.966375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.966375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.966375 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.052
local terms energy: -44.739564
where:
bonds (distance) C4'-P energy: -11.710
bonds (distance) P-C4' energy: -8.588
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -98.494776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.494776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.494776 (E_RNA)
where:
Base-Base interactions energy: -42.101
where: short stacking energy: -30.968
Base-Backbone interact. energy: -0.232
local terms energy: -56.162232
where:
bonds (distance) C4'-P energy: -13.207
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -14.556
flat angles P-C4'-P energy: -6.392
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: 9, replica: 5
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -96.800799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.800799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.800799 (E_RNA)
where:
Base-Base interactions energy: -45.620
where: short stacking energy: -36.263
Base-Backbone interact. energy: -0.843
local terms energy: -50.337855
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -8.818
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -84.185466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.185466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.185466 (E_RNA)
where:
Base-Base interactions energy: -33.094
where: short stacking energy: -30.018
Base-Backbone interact. energy: 1.552
local terms energy: -52.643574
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -6.762
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE