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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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/jev3-67f1268b/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/jev3-67f1268b/inputs/seq.fa: 1
curr_seq: _UGGUGAGGAAGAACACAGGAUCU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UGGUGAGGAAGAACACAGGAUCU
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 23 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: 120
n_atoms_counter: 120
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 23.000000 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: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -87.168486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.168486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.168486 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -85.567183
where:
bonds (distance) C4'-P energy: -22.346
bonds (distance) P-C4' energy: -21.472
flat angles C4'-P-C4' energy: -16.887
flat angles P-C4'-P energy: -19.317
tors. eta vs tors. theta energy: -5.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -154.502078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.502078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.502078 (E_RNA)
where:
Base-Base interactions energy: -73.729
where: short stacking energy: -72.311
Base-Backbone interact. energy: -0.155
local terms energy: -80.617635
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.575
flat angles P-C4'-P energy: -13.416
tors. eta vs tors. theta energy: -19.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -140.341282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.341282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.341282 (E_RNA)
where:
Base-Base interactions energy: -66.189
where: short stacking energy: -66.189
Base-Backbone interact. energy: -0.001
local terms energy: -74.152008
where:
bonds (distance) C4'-P energy: -9.885
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -16.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -133.731914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.731914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.731914 (E_RNA)
where:
Base-Base interactions energy: -62.378
where: short stacking energy: -57.692
Base-Backbone interact. energy: -0.211
local terms energy: -71.142962
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -16.737
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -11.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -138.996423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.996423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.996423 (E_RNA)
where:
Base-Base interactions energy: -58.629
where: short stacking energy: -58.629
Base-Backbone interact. energy: -0.027
local terms energy: -80.340238
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -15.757
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -19.091
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: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -117.437372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.437372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.437372 (E_RNA)
where:
Base-Base interactions energy: -49.502
where: short stacking energy: -49.502
Base-Backbone interact. energy: -0.061
local terms energy: -67.875211
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -9.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -132.217180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.217180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.217180 (E_RNA)
where:
Base-Base interactions energy: -73.229
where: short stacking energy: -33.916
Base-Backbone interact. energy: -1.033
local terms energy: -57.954465
where:
bonds (distance) C4'-P energy: -16.071
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -11.288
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -5.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -109.743583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.743583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.743583 (E_RNA)
where:
Base-Base interactions energy: -43.198
where: short stacking energy: -43.198
Base-Backbone interact. energy: -0.000
local terms energy: -66.545533
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -95.631251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.631251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.631251 (E_RNA)
where:
Base-Base interactions energy: -34.309
where: short stacking energy: -27.647
Base-Backbone interact. energy: -0.189
local terms energy: -61.133756
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.385
tors. eta vs tors. theta energy: -2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -86.135056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135056 (E_RNA)
where:
Base-Base interactions energy: -1.601
where: short stacking energy: -1.601
Base-Backbone interact. energy: -0.000
local terms energy: -84.533751
where:
bonds (distance) C4'-P energy: -22.230
bonds (distance) P-C4' energy: -21.465
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -19.158
tors. eta vs tors. theta energy: -5.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -86.324433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.324433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.324433 (E_RNA)
where:
Base-Base interactions energy: -35.730
where: short stacking energy: -35.730
Base-Backbone interact. energy: -0.064
local terms energy: -50.531013
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.040
flat angles P-C4'-P energy: -6.134
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -137.477424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.477424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.477424 (E_RNA)
where:
Base-Base interactions energy: -71.523
where: short stacking energy: -53.467
Base-Backbone interact. energy: -0.672
local terms energy: -65.282479
where:
bonds (distance) C4'-P energy: -13.151
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -176.140116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.140116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.140116 (E_RNA)
where:
Base-Base interactions energy: -103.613
where: short stacking energy: -52.890
Base-Backbone interact. energy: -0.691
local terms energy: -71.836514
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -8.951
tors. eta vs tors. theta energy: -14.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -126.475992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.475992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.475992 (E_RNA)
where:
Base-Base interactions energy: -58.127
where: short stacking energy: -45.191
Base-Backbone interact. energy: -0.068
local terms energy: -68.281609
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -139.134702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.134702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.134702 (E_RNA)
where:
Base-Base interactions energy: -60.478
where: short stacking energy: -60.224
Base-Backbone interact. energy: -0.011
local terms energy: -78.645388
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -20.572
flat angles P-C4'-P energy: -12.244
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: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -113.457189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.457189 (E_RNA)
where:
Base-Base interactions energy: -45.006
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.032
local terms energy: -68.419311
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -13.684
flat angles C4'-P-C4' energy: -16.668
flat angles P-C4'-P energy: -10.861
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: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -109.896777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.896777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.896777 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -38.657
Base-Backbone interact. energy: -0.031
local terms energy: -65.914228
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -9.882
flat angles P-C4'-P energy: -12.590
tors. eta vs tors. theta energy: -4.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -108.668844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.668844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.668844 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -30.062
Base-Backbone interact. energy: -0.728
local terms energy: -65.347705
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -6.066
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: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -89.859414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.859414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.859414 (E_RNA)
where:
Base-Base interactions energy: -41.883
where: short stacking energy: -36.078
Base-Backbone interact. energy: -0.294
local terms energy: -47.682276
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -1.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -85.341862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.341862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.341862 (E_RNA)
where:
Base-Base interactions energy: -31.135
where: short stacking energy: -20.942
Base-Backbone interact. energy: 0.300
local terms energy: -54.506787
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -12.468
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -10.782
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -82.876347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.876347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.876347 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -34.450
Base-Backbone interact. energy: -0.169
local terms energy: -48.257244
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -11.094
flat angles P-C4'-P energy: -6.183
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: 2
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -195.757809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.757809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.757809 (E_RNA)
where:
Base-Base interactions energy: -123.354
where: short stacking energy: -66.518
Base-Backbone interact. energy: -0.006
local terms energy: -72.398242
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -18.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -141.848647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.848647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.848647 (E_RNA)
where:
Base-Base interactions energy: -66.970
where: short stacking energy: -66.870
Base-Backbone interact. energy: -0.022
local terms energy: -74.856234
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -14.381
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -10.235
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: 3, replica: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -158.989825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.989825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.989825 (E_RNA)
where:
Base-Base interactions energy: -96.115
where: short stacking energy: -57.201
Base-Backbone interact. energy: -0.346
local terms energy: -62.528811
where:
bonds (distance) C4'-P energy: -10.432
bonds (distance) P-C4' energy: -17.229
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -8.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -139.258261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.258261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.258261 (E_RNA)
where:
Base-Base interactions energy: -62.842
where: short stacking energy: -62.842
Base-Backbone interact. energy: 0.335
local terms energy: -76.750623
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -13.039
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -20.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -114.456076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.456076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.456076 (E_RNA)
where:
Base-Base interactions energy: -47.548
where: short stacking energy: -36.357
Base-Backbone interact. energy: -0.337
local terms energy: -66.571470
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -18.649
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -4.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -115.570733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.570733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.570733 (E_RNA)
where:
Base-Base interactions energy: -62.961
where: short stacking energy: -32.828
Base-Backbone interact. energy: 1.207
local terms energy: -53.816720
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: 1.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -101.778510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.778510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.778510 (E_RNA)
where:
Base-Base interactions energy: -37.240
where: short stacking energy: -36.067
Base-Backbone interact. energy: 0.619
local terms energy: -65.157709
where:
bonds (distance) C4'-P energy: -15.904
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -5.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -92.477177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.477177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.477177 (E_RNA)
where:
Base-Base interactions energy: -32.976
where: short stacking energy: -25.485
Base-Backbone interact. energy: -0.108
local terms energy: -59.393460
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -90.090463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.090463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.090463 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -36.696
Base-Backbone interact. energy: -0.062
local terms energy: -53.285757
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -11.993
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.713
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: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -76.927462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.927462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.927462 (E_RNA)
where:
Base-Base interactions energy: -31.204
where: short stacking energy: -23.429
Base-Backbone interact. energy: -0.300
local terms energy: -45.423465
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -11.635
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.203
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: 1, replica: 2
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -184.061511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.061511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.061511 (E_RNA)
where:
Base-Base interactions energy: -111.625
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.075
local terms energy: -72.361272
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -12.849
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -158.086655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.086655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.086655 (E_RNA)
where:
Base-Base interactions energy: -87.070
where: short stacking energy: -60.603
Base-Backbone interact. energy: -0.217
local terms energy: -70.799886
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -7.498
tors. eta vs tors. theta energy: -11.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -147.513007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.513007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.513007 (E_RNA)
where:
Base-Base interactions energy: -83.306
where: short stacking energy: -46.686
Base-Backbone interact. energy: -0.098
local terms energy: -64.108993
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.686
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -13.214
tors. eta vs tors. theta energy: -9.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -134.477388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.477388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.477388 (E_RNA)
where:
Base-Base interactions energy: -63.345
where: short stacking energy: -56.076
Base-Backbone interact. energy: -0.369
local terms energy: -70.763646
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.905
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -10.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -114.906285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.906285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906285 (E_RNA)
where:
Base-Base interactions energy: -50.131
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.060
local terms energy: -64.714586
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -13.562
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -7.633
tors. eta vs tors. theta energy: -10.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -119.880949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.880949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.880949 (E_RNA)
where:
Base-Base interactions energy: -53.349
where: short stacking energy: -53.349
Base-Backbone interact. energy: -0.108
local terms energy: -66.424559
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -12.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -90.442931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.442931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.442931 (E_RNA)
where:
Base-Base interactions energy: -42.114
where: short stacking energy: -42.114
Base-Backbone interact. energy: -0.265
local terms energy: -48.064014
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -12.089
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -2.960
tors. eta vs tors. theta energy: -2.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -96.571869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.571869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.571869 (E_RNA)
where:
Base-Base interactions energy: -46.275
where: short stacking energy: -29.265
Base-Backbone interact. energy: 0.163
local terms energy: -50.459601
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -9.616
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -104.302778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.302778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.302778 (E_RNA)
where:
Base-Base interactions energy: -41.980
where: short stacking energy: -37.045
Base-Backbone interact. energy: -0.161
local terms energy: -62.161325
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -76.515455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.515455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.515455 (E_RNA)
where:
Base-Base interactions energy: -26.209
where: short stacking energy: -26.209
Base-Backbone interact. energy: -0.054
local terms energy: -50.252004
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -11.567
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -165.578546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.578546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.578546 (E_RNA)
where:
Base-Base interactions energy: -84.376
where: short stacking energy: -56.707
Base-Backbone interact. energy: -0.151
local terms energy: -81.051079
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -14.374
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: 2, replica: 2
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -198.168957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.168957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.168957 (E_RNA)
where:
Base-Base interactions energy: -133.663
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.004
local terms energy: -64.502090
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -15.573
flat angles P-C4'-P energy: -5.180
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -154.746767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.746767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.746767 (E_RNA)
where:
Base-Base interactions energy: -90.768
where: short stacking energy: -46.520
Base-Backbone interact. energy: -0.348
local terms energy: -63.630847
where:
bonds (distance) C4'-P energy: -14.242
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -8.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -105.380876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380876 (E_RNA)
where:
Base-Base interactions energy: -45.890
where: short stacking energy: -45.785
Base-Backbone interact. energy: -0.436
local terms energy: -59.055038
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -13.971
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -115.342390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.342390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.342390 (E_RNA)
where:
Base-Base interactions energy: -47.146
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.017
local terms energy: -68.179787
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -11.897
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: 6, replica: 5
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -112.199028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.199028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.199028 (E_RNA)
where:
Base-Base interactions energy: -46.788
where: short stacking energy: -42.315
Base-Backbone interact. energy: -0.209
local terms energy: -65.202066
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -19.089
flat angles C4'-P-C4' energy: -11.781
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -94.745696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.745696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.745696 (E_RNA)
where:
Base-Base interactions energy: -51.026
where: short stacking energy: -21.974
Base-Backbone interact. energy: -1.000
local terms energy: -42.719597
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -4.482
tors. eta vs tors. theta energy: 8.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -103.184814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.184814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.184814 (E_RNA)
where:
Base-Base interactions energy: -49.475
where: short stacking energy: -35.582
Base-Backbone interact. energy: -0.487
local terms energy: -53.222832
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -8.562
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -83.670180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.670180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.670180 (E_RNA)
where:
Base-Base interactions energy: -29.392
where: short stacking energy: -28.780
Base-Backbone interact. energy: -0.206
local terms energy: -54.072369
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -10.288
flat angles P-C4'-P energy: -8.524
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: 9
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -77.892397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.892397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.892397 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.418
local terms energy: -40.287327
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -8.663
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -7.400
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: 4
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -187.207148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.207148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.207148 (E_RNA)
where:
Base-Base interactions energy: -104.813
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.939
local terms energy: -81.454695
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -18.884
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -196.022504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.022504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.022504 (E_RNA)
where:
Base-Base interactions energy: -129.105
where: short stacking energy: -65.837
Base-Backbone interact. energy: -0.268
local terms energy: -66.649192
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -9.028
flat angles P-C4'-P energy: -8.676
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: 3, replica: 1
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -124.673072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.673072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.673072 (E_RNA)
where:
Base-Base interactions energy: -55.020
where: short stacking energy: -31.562
Base-Backbone interact. energy: -1.051
local terms energy: -68.601525
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -8.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -122.537655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.537655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.537655 (E_RNA)
where:
Base-Base interactions energy: -51.021
where: short stacking energy: -51.021
Base-Backbone interact. energy: -0.124
local terms energy: -71.393234
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -17.301
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -10.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -114.933215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.933215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.933215 (E_RNA)
where:
Base-Base interactions energy: -48.910
where: short stacking energy: -46.323
Base-Backbone interact. energy: -0.005
local terms energy: -66.018735
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -17.851
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -6.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -107.216071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.216071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.216071 (E_RNA)
where:
Base-Base interactions energy: -46.898
where: short stacking energy: -40.771
Base-Backbone interact. energy: -0.060
local terms energy: -60.257947
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -8.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -135.070412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.070412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.070412 (E_RNA)
where:
Base-Base interactions energy: -74.225
where: short stacking energy: -44.180
Base-Backbone interact. energy: -0.159
local terms energy: -60.685770
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.828
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: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -88.593246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.593246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.593246 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -30.453
Base-Backbone interact. energy: -0.003
local terms energy: -57.980941
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -4.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -82.691024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.691024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.691024 (E_RNA)
where:
Base-Base interactions energy: -31.403
where: short stacking energy: -31.340
Base-Backbone interact. energy: 1.582
local terms energy: -52.870188
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: 3.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -80.711507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.711507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.711507 (E_RNA)
where:
Base-Base interactions energy: -31.092
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.069
local terms energy: -49.550483
where:
bonds (distance) C4'-P energy: -10.121
bonds (distance) P-C4' energy: -10.032
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.943
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: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -219.491753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.491753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.491753 (E_RNA)
where:
Base-Base interactions energy: -140.059
where: short stacking energy: -69.846
Base-Backbone interact. energy: -0.035
local terms energy: -79.397991
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -18.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -183.008753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.008753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.008753 (E_RNA)
where:
Base-Base interactions energy: -104.414
where: short stacking energy: -68.587
Base-Backbone interact. energy: -0.478
local terms energy: -78.116770
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -11.855
flat angles C4'-P-C4' energy: -20.623
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -14.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -133.005633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.005633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.005633 (E_RNA)
where:
Base-Base interactions energy: -69.547
where: short stacking energy: -43.685
Base-Backbone interact. energy: -0.201
local terms energy: -63.258342
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -12.725
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -3.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -123.631262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.631262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.631262 (E_RNA)
where:
Base-Base interactions energy: -53.586
where: short stacking energy: -51.571
Base-Backbone interact. energy: -0.151
local terms energy: -69.893768
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -7.795
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -118.687061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.687061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.687061 (E_RNA)
where:
Base-Base interactions energy: -55.821
where: short stacking energy: -38.653
Base-Backbone interact. energy: -0.061
local terms energy: -62.805170
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -4.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -101.853537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.853537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.853537 (E_RNA)
where:
Base-Base interactions energy: -39.054
where: short stacking energy: -39.054
Base-Backbone interact. energy: -0.154
local terms energy: -62.645427
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -7.554
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: 7, replica: 6
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -103.319455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.319455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.319455 (E_RNA)
where:
Base-Base interactions energy: -41.752
where: short stacking energy: -32.281
Base-Backbone interact. energy: -0.080
local terms energy: -61.487257
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -13.619
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -2.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -91.143496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.143496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.143496 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -38.457
Base-Backbone interact. energy: -1.034
local terms energy: -48.704209
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -2.668
tors. eta vs tors. theta energy: 0.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -92.793528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793528 (E_RNA)
where:
Base-Base interactions energy: -39.676
where: short stacking energy: -35.646
Base-Backbone interact. energy: -0.670
local terms energy: -52.447237
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -7.873
tors. eta vs tors. theta energy: -1.865
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: 8
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -82.436266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436266 (E_RNA)
where:
Base-Base interactions energy: -31.439
where: short stacking energy: -28.175
Base-Backbone interact. energy: -0.268
local terms energy: -50.728990
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -10.862
flat angles C4'-P-C4' energy: -11.559
flat angles P-C4'-P energy: -11.950
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: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -206.414477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.414477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.414477 (E_RNA)
where:
Base-Base interactions energy: -133.999
where: short stacking energy: -58.795
Base-Backbone interact. energy: -0.017
local terms energy: -72.398693
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -11.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -195.634813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.634813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.634813 (E_RNA)
where:
Base-Base interactions energy: -117.272
where: short stacking energy: -54.231
Base-Backbone interact. energy: 1.862
local terms energy: -80.225045
where:
bonds (distance) C4'-P energy: -14.907
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -18.974
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -15.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -166.258181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.258181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.258181 (E_RNA)
where:
Base-Base interactions energy: -96.755
where: short stacking energy: -61.444
Base-Backbone interact. energy: -0.282
local terms energy: -69.221363
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -121.193265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.193265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.193265 (E_RNA)
where:
Base-Base interactions energy: -55.586
where: short stacking energy: -38.248
Base-Backbone interact. energy: -0.938
local terms energy: -64.669268
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -6.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -113.759987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.759987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.759987 (E_RNA)
where:
Base-Base interactions energy: -49.153
where: short stacking energy: -39.845
Base-Backbone interact. energy: -0.477
local terms energy: -64.129945
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -7.340
flat angles P-C4'-P energy: -12.634
tors. eta vs tors. theta energy: -10.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -115.066089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.066089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.066089 (E_RNA)
where:
Base-Base interactions energy: -49.591
where: short stacking energy: -49.591
Base-Backbone interact. energy: -0.145
local terms energy: -65.330081
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -12.116
tors. eta vs tors. theta energy: -11.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -119.775619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.775619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.775619 (E_RNA)
where:
Base-Base interactions energy: -64.226
where: short stacking energy: -33.746
Base-Backbone interact. energy: 0.159
local terms energy: -55.708572
where:
bonds (distance) C4'-P energy: -10.787
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -14.539
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -5.341
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: 9
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -86.028647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.028647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.028647 (E_RNA)
where:
Base-Base interactions energy: -29.784
where: short stacking energy: -26.534
Base-Backbone interact. energy: -0.285
local terms energy: -55.959822
where:
bonds (distance) C4'-P energy: -8.281
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -86.724519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.724519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.724519 (E_RNA)
where:
Base-Base interactions energy: -35.166
where: short stacking energy: -28.711
Base-Backbone interact. energy: -0.444
local terms energy: -51.115361
where:
bonds (distance) C4'-P energy: -11.696
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -8.267
tors. eta vs tors. theta energy: -1.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -80.857100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.857100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.857100 (E_RNA)
where:
Base-Base interactions energy: -31.742
where: short stacking energy: -25.364
Base-Backbone interact. energy: -0.223
local terms energy: -48.892179
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -11.304
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -204.817642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.817642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.817642 (E_RNA)
where:
Base-Base interactions energy: -128.807
where: short stacking energy: -60.597
Base-Backbone interact. energy: -0.128
local terms energy: -75.882364
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -13.063
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -15.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -215.740461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.740461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.740461 (E_RNA)
where:
Base-Base interactions energy: -139.347
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.329
local terms energy: -76.064814
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -13.679
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -17.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -169.551813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.551813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.551813 (E_RNA)
where:
Base-Base interactions energy: -106.750
where: short stacking energy: -54.233
Base-Backbone interact. energy: -0.025
local terms energy: -62.776779
where:
bonds (distance) C4'-P energy: -13.318
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -11.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -126.260823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.260823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.260823 (E_RNA)
where:
Base-Base interactions energy: -58.172
where: short stacking energy: -41.884
Base-Backbone interact. energy: -0.175
local terms energy: -67.913973
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -15.091
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -13.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -113.434791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.434791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.434791 (E_RNA)
where:
Base-Base interactions energy: -48.356
where: short stacking energy: -34.629
Base-Backbone interact. energy: -0.119
local terms energy: -64.959793
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -12.818
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: 6, replica: 7
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -105.285575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.285575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.285575 (E_RNA)
where:
Base-Base interactions energy: -46.330
where: short stacking energy: -28.504
Base-Backbone interact. energy: -0.237
local terms energy: -58.718749
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: 0.074
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: 7, replica: 9
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -106.518392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.518392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.518392 (E_RNA)
where:
Base-Base interactions energy: -45.132
where: short stacking energy: -45.132
Base-Backbone interact. energy: -0.193
local terms energy: -61.193530
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -9.764
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -92.182795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.182795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.182795 (E_RNA)
where:
Base-Base interactions energy: -52.207
where: short stacking energy: -34.830
Base-Backbone interact. energy: 1.035
local terms energy: -41.010947
where:
bonds (distance) C4'-P energy: -7.672
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -0.050
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: 9, replica: 8
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -81.943263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.943263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.943263 (E_RNA)
where:
Base-Base interactions energy: -31.618
where: short stacking energy: -28.871
Base-Backbone interact. energy: -0.250
local terms energy: -50.075284
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -11.378
flat angles P-C4'-P energy: -4.299
tors. eta vs tors. theta energy: -2.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -73.148928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.148928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.148928 (E_RNA)
where:
Base-Base interactions energy: -24.890
where: short stacking energy: -22.964
Base-Backbone interact. energy: -0.328
local terms energy: -47.931746
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -9.732
flat angles P-C4'-P energy: -6.264
tors. eta vs tors. theta energy: 1.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -217.933902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.933902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.933902 (E_RNA)
where:
Base-Base interactions energy: -140.072
where: short stacking energy: -62.285
Base-Backbone interact. energy: -0.263
local terms energy: -77.597995
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -18.484
flat angles P-C4'-P energy: -11.227
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: 2, replica: 1
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -219.549353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.549353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.549353 (E_RNA)
where:
Base-Base interactions energy: -146.380
where: short stacking energy: -54.344
Base-Backbone interact. energy: -1.577
local terms energy: -71.591940
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -17.860
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -12.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -165.549171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.549171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.549171 (E_RNA)
where:
Base-Base interactions energy: -97.037
where: short stacking energy: -65.107
Base-Backbone interact. energy: 0.198
local terms energy: -68.710340
where:
bonds (distance) C4'-P energy: -10.344
bonds (distance) P-C4' energy: -17.603
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -12.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -128.962225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.962225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.962225 (E_RNA)
where:
Base-Base interactions energy: -68.282
where: short stacking energy: -47.692
Base-Backbone interact. energy: -0.018
local terms energy: -60.662389
where:
bonds (distance) C4'-P energy: -14.357
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -13.801
flat angles P-C4'-P energy: -7.894
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: 5, replica: 6
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -105.993729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.993729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.993729 (E_RNA)
where:
Base-Base interactions energy: -48.097
where: short stacking energy: -39.752
Base-Backbone interact. energy: -0.588
local terms energy: -57.308987
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -5.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -110.518952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.518952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.518952 (E_RNA)
where:
Base-Base interactions energy: -54.866
where: short stacking energy: -21.694
Base-Backbone interact. energy: -0.205
local terms energy: -55.447299
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -15.176
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -104.333124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.333124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.333124 (E_RNA)
where:
Base-Base interactions energy: -49.928
where: short stacking energy: -27.057
Base-Backbone interact. energy: -0.091
local terms energy: -54.313818
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -8.133
tors. eta vs tors. theta energy: -1.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -98.316526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.316526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.316526 (E_RNA)
where:
Base-Base interactions energy: -34.548
where: short stacking energy: -34.548
Base-Backbone interact. energy: -0.042
local terms energy: -63.726819
where:
bonds (distance) C4'-P energy: -18.960
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -9.016
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -8.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -85.194467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.194467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.194467 (E_RNA)
where:
Base-Base interactions energy: -25.197
where: short stacking energy: -23.010
Base-Backbone interact. energy: -0.104
local terms energy: -59.894272
where:
bonds (distance) C4'-P energy: -16.265
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -79.893620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.893620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.893620 (E_RNA)
where:
Base-Base interactions energy: -25.639
where: short stacking energy: -25.639
Base-Backbone interact. energy: 1.979
local terms energy: -56.233464
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -1.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -225.100589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.100589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.100589 (E_RNA)
where:
Base-Base interactions energy: -149.012
where: short stacking energy: -74.601
Base-Backbone interact. energy: 1.619
local terms energy: -77.708133
where:
bonds (distance) C4'-P energy: -16.563
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.833
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: 2
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -215.449971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.449971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.449971 (E_RNA)
where:
Base-Base interactions energy: -135.841
where: short stacking energy: -69.804
Base-Backbone interact. energy: -0.022
local terms energy: -79.586656
where:
bonds (distance) C4'-P energy: -15.354
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -19.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -173.205640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.205640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.205640 (E_RNA)
where:
Base-Base interactions energy: -101.026
where: short stacking energy: -67.494
Base-Backbone interact. energy: -0.604
local terms energy: -71.574893
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -11.113
flat angles C4'-P-C4' energy: -17.688
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -17.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -131.657173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.657173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.657173 (E_RNA)
where:
Base-Base interactions energy: -54.836
where: short stacking energy: -53.216
Base-Backbone interact. energy: -0.007
local terms energy: -76.814579
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -18.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -130.612253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.612253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.612253 (E_RNA)
where:
Base-Base interactions energy: -70.256
where: short stacking energy: -49.518
Base-Backbone interact. energy: -0.250
local terms energy: -60.106541
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -8.074
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: 12
Temperature: 1.150000
Total energy: -117.281261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.281261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.281261 (E_RNA)
where:
Base-Base interactions energy: -53.021
where: short stacking energy: -53.021
Base-Backbone interact. energy: -0.102
local terms energy: -64.158456
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -17.908
flat angles C4'-P-C4' energy: -13.054
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -12.961
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: 8
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -121.280575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.280575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.280575 (E_RNA)
where:
Base-Base interactions energy: -59.708
where: short stacking energy: -46.239
Base-Backbone interact. energy: -0.257
local terms energy: -61.315720
where:
bonds (distance) C4'-P energy: -10.816
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -9.497
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -96.412351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.412351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.412351 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -30.544
Base-Backbone interact. energy: -0.056
local terms energy: -58.162978
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -13.800
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -4.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -84.563589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.563589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.563589 (E_RNA)
where:
Base-Base interactions energy: -31.399
where: short stacking energy: -31.399
Base-Backbone interact. energy: -0.325
local terms energy: -52.839466
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -2.433
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -93.701949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.701949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.701949 (E_RNA)
where:
Base-Base interactions energy: -36.522
where: short stacking energy: -33.082
Base-Backbone interact. energy: -0.081
local terms energy: -57.098912
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -1.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -213.214708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.214708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.214708 (E_RNA)
where:
Base-Base interactions energy: -131.595
where: short stacking energy: -65.444
Base-Backbone interact. energy: 0.255
local terms energy: -81.875079
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -222.960276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.960276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.960276 (E_RNA)
where:
Base-Base interactions energy: -154.334
where: short stacking energy: -71.788
Base-Backbone interact. energy: 1.320
local terms energy: -69.946191
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -14.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -168.073616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.073616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.073616 (E_RNA)
where:
Base-Base interactions energy: -94.027
where: short stacking energy: -42.853
Base-Backbone interact. energy: -0.204
local terms energy: -73.842385
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -11.364
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: 4, replica: 9
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -135.827827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.827827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.827827 (E_RNA)
where:
Base-Base interactions energy: -72.248
where: short stacking energy: -48.533
Base-Backbone interact. energy: -0.033
local terms energy: -63.546844
where:
bonds (distance) C4'-P energy: -13.587
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -11.205
tors. eta vs tors. theta energy: -6.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -113.620352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.620352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.620352 (E_RNA)
where:
Base-Base interactions energy: -53.164
where: short stacking energy: -49.900
Base-Backbone interact. energy: -0.085
local terms energy: -60.371539
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -8.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -121.496459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.496459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.496459 (E_RNA)
where:
Base-Base interactions energy: -52.462
where: short stacking energy: -52.462
Base-Backbone interact. energy: -0.001
local terms energy: -69.033560
where:
bonds (distance) C4'-P energy: -18.454
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -7.532
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: 7, replica: 6
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -108.786680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.786680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.786680 (E_RNA)
where:
Base-Base interactions energy: -49.124
where: short stacking energy: -38.627
Base-Backbone interact. energy: -0.206
local terms energy: -59.456178
where:
bonds (distance) C4'-P energy: -13.065
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -10.087
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -7.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -84.853006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853006 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -25.007
Base-Backbone interact. energy: -0.175
local terms energy: -58.598545
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -9.413
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: 9, replica: 7
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -98.482552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.482552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.482552 (E_RNA)
where:
Base-Base interactions energy: -47.878
where: short stacking energy: -38.764
Base-Backbone interact. energy: 0.401
local terms energy: -51.006363
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -9.865
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -8.635
tors. eta vs tors. theta energy: -7.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -80.759940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.759940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.759940 (E_RNA)
where:
Base-Base interactions energy: -38.857
where: short stacking energy: -31.574
Base-Backbone interact. energy: -0.453
local terms energy: -41.449844
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -11.832
flat angles C4'-P-C4' energy: -3.224
flat angles P-C4'-P energy: -9.374
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: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -228.059890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.059890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.059890 (E_RNA)
where:
Base-Base interactions energy: -147.109
where: short stacking energy: -72.469
Base-Backbone interact. energy: 0.312
local terms energy: -81.262712
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -12.911
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: 2, replica: 1
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -207.781449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.781449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.781449 (E_RNA)
where:
Base-Base interactions energy: -137.150
where: short stacking energy: -68.230
Base-Backbone interact. energy: -0.131
local terms energy: -70.500379
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -14.731
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -176.194642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.194642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.194642 (E_RNA)
where:
Base-Base interactions energy: -102.532
where: short stacking energy: -53.778
Base-Backbone interact. energy: -0.230
local terms energy: -73.432232
where:
bonds (distance) C4'-P energy: -14.589
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -14.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -136.814692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.814692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.814692 (E_RNA)
where:
Base-Base interactions energy: -70.249
where: short stacking energy: -55.120
Base-Backbone interact. energy: -0.092
local terms energy: -66.474185
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -9.806
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: 5, replica: 8
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -97.458333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.458333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.458333 (E_RNA)
where:
Base-Base interactions energy: -37.395
where: short stacking energy: -32.546
Base-Backbone interact. energy: -0.252
local terms energy: -59.811913
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -12.142
flat angles C4'-P-C4' energy: -15.798
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -4.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -101.529430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.529430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.529430 (E_RNA)
where:
Base-Base interactions energy: -42.525
where: short stacking energy: -33.369
Base-Backbone interact. energy: 0.304
local terms energy: -59.308970
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -11.608
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: 7, replica: 6
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -103.572517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.572517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.572517 (E_RNA)
where:
Base-Base interactions energy: -53.709
where: short stacking energy: -45.011
Base-Backbone interact. energy: -0.751
local terms energy: -49.112300
where:
bonds (distance) C4'-P energy: -11.960
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -6.203
tors. eta vs tors. theta energy: -4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -95.002817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.002817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.002817 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.131
local terms energy: -63.791224
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -5.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -92.371912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.371912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.371912 (E_RNA)
where:
Base-Base interactions energy: -45.476
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.032
local terms energy: -46.864360
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -11.454
flat angles P-C4'-P energy: -5.408
tors. eta vs tors. theta energy: -0.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -82.261434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.261434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.261434 (E_RNA)
where:
Base-Base interactions energy: -38.678
where: short stacking energy: -31.630
Base-Backbone interact. energy: -0.300
local terms energy: -43.283493
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -1.410
tors. eta vs tors. theta energy: 0.820
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: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -237.345186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.345186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.345186 (E_RNA)
where:
Base-Base interactions energy: -154.125
where: short stacking energy: -80.734
Base-Backbone interact. energy: -0.048
local terms energy: -83.172862
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -12.915
tors. eta vs tors. theta energy: -20.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -230.164267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.164267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.164267 (E_RNA)
where:
Base-Base interactions energy: -153.589
where: short stacking energy: -56.506
Base-Backbone interact. energy: -0.028
local terms energy: -76.547293
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -12.860
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: 4
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -163.674270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.674270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.674270 (E_RNA)
where:
Base-Base interactions energy: -92.078
where: short stacking energy: -45.808
Base-Backbone interact. energy: -0.547
local terms energy: -71.049311
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -12.527
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: 9
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -129.065861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.065861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.065861 (E_RNA)
where:
Base-Base interactions energy: -65.386
where: short stacking energy: -49.166
Base-Backbone interact. energy: 0.205
local terms energy: -63.884882
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -13.562
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -14.425
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: 8
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -113.990046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.990046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.990046 (E_RNA)
where:
Base-Base interactions energy: -49.628
where: short stacking energy: -42.855
Base-Backbone interact. energy: -0.012
local terms energy: -64.349596
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -10.256
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -13.795
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: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -112.801103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.801103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.801103 (E_RNA)
where:
Base-Base interactions energy: -50.080
where: short stacking energy: -50.080
Base-Backbone interact. energy: -0.336
local terms energy: -62.385042
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -9.293
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -109.026438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.026438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.026438 (E_RNA)
where:
Base-Base interactions energy: -44.719
where: short stacking energy: -33.333
Base-Backbone interact. energy: -0.569
local terms energy: -63.738396
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -11.883
tors. eta vs tors. theta energy: -8.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -100.202522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.202522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.202522 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -24.911
Base-Backbone interact. energy: -0.062
local terms energy: -62.624090
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -3.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -90.837680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.837680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.837680 (E_RNA)
where:
Base-Base interactions energy: -29.100
where: short stacking energy: -29.100
Base-Backbone interact. energy: -0.152
local terms energy: -61.584978
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -4.739
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: 7
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -103.945690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.945690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.945690 (E_RNA)
where:
Base-Base interactions energy: -57.628
where: short stacking energy: -42.499
Base-Backbone interact. energy: -0.258
local terms energy: -46.059193
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -11.913
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -6.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -218.999045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.999045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.999045 (E_RNA)
where:
Base-Base interactions energy: -140.356
where: short stacking energy: -65.489
Base-Backbone interact. energy: -0.963
local terms energy: -77.679723
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -18.951
flat angles C4'-P-C4' energy: -19.650
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -222.725429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.725429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.725429 (E_RNA)
where:
Base-Base interactions energy: -155.669
where: short stacking energy: -70.645
Base-Backbone interact. energy: 0.127
local terms energy: -67.184083
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -12.506
flat angles P-C4'-P energy: -8.544
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: 4
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -147.204382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.204382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.204382 (E_RNA)
where:
Base-Base interactions energy: -79.917
where: short stacking energy: -53.174
Base-Backbone interact. energy: 0.879
local terms energy: -68.166147
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -12.553
tors. eta vs tors. theta energy: -7.844
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: 9
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -119.114535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.114535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.114535 (E_RNA)
where:
Base-Base interactions energy: -55.793
where: short stacking energy: -53.061
Base-Backbone interact. energy: -0.016
local terms energy: -63.305392
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -13.918
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -11.863
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: 5, replica: 6
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -113.287680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.287680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.287680 (E_RNA)
where:
Base-Base interactions energy: -50.182
where: short stacking energy: -38.928
Base-Backbone interact. energy: -0.399
local terms energy: -62.707093
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -20.977
flat angles P-C4'-P energy: -8.508
tors. eta vs tors. theta energy: -5.219
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: 8
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -98.104545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.104545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.104545 (E_RNA)
where:
Base-Base interactions energy: -40.471
where: short stacking energy: -23.828
Base-Backbone interact. energy: -0.760
local terms energy: -56.872726
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -11.522
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -1.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -95.378987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.378987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.378987 (E_RNA)
where:
Base-Base interactions energy: -38.233
where: short stacking energy: -35.863
Base-Backbone interact. energy: -0.055
local terms energy: -57.090587
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.221
flat angles P-C4'-P energy: -3.544
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -152.159341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.159341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.159341 (E_RNA)
where:
Base-Base interactions energy: -92.597
where: short stacking energy: -43.510
Base-Backbone interact. energy: 0.960
local terms energy: -60.521586
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -6.600
tors. eta vs tors. theta energy: -8.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -88.386248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.386248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.386248 (E_RNA)
where:
Base-Base interactions energy: -32.822
where: short stacking energy: -26.971
Base-Backbone interact. energy: -0.303
local terms energy: -55.261336
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: 2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -86.867948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.867948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.867948 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -23.896
Base-Backbone interact. energy: -0.213
local terms energy: -58.219686
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -14.366
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -9.917
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -211.703660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.703660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.703660 (E_RNA)
where:
Base-Base interactions energy: -135.409
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.108
local terms energy: -76.185998
where:
bonds (distance) C4'-P energy: -15.815
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -20.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -225.592648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.592648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.592648 (E_RNA)
where:
Base-Base interactions energy: -148.320
where: short stacking energy: -76.453
Base-Backbone interact. energy: -0.024
local terms energy: -77.249050
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -15.172
flat angles P-C4'-P energy: -10.387
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: 3, replica: 4
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -140.513059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.513059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.513059 (E_RNA)
where:
Base-Base interactions energy: -71.497
where: short stacking energy: -53.216
Base-Backbone interact. energy: -0.375
local terms energy: -68.640930
where:
bonds (distance) C4'-P energy: -10.155
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -19.692
flat angles P-C4'-P energy: -10.724
tors. eta vs tors. theta energy: -12.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -119.759136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.759136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.759136 (E_RNA)
where:
Base-Base interactions energy: -50.992
where: short stacking energy: -49.083
Base-Backbone interact. energy: -0.054
local terms energy: -68.713134
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -14.075
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -12.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -126.513458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.513458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.513458 (E_RNA)
where:
Base-Base interactions energy: -73.232
where: short stacking energy: -32.399
Base-Backbone interact. energy: -0.404
local terms energy: -52.876764
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -10.954
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -0.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -100.217857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.217857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.217857 (E_RNA)
where:
Base-Base interactions energy: -50.329
where: short stacking energy: -26.601
Base-Backbone interact. energy: -0.768
local terms energy: -49.120743
where:
bonds (distance) C4'-P energy: -11.855
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -12.855
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -101.719412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.719412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.719412 (E_RNA)
where:
Base-Base interactions energy: -38.170
where: short stacking energy: -37.561
Base-Backbone interact. energy: -0.199
local terms energy: -63.350336
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -16.154
flat angles P-C4'-P energy: -12.475
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: 8, replica: 5
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -127.970726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.970726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.970726 (E_RNA)
where:
Base-Base interactions energy: -71.987
where: short stacking energy: -43.345
Base-Backbone interact. energy: -0.122
local terms energy: -55.861355
where:
bonds (distance) C4'-P energy: -15.362
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -10.694
flat angles P-C4'-P energy: -5.735
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: 9, replica: 7
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -102.575860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.575860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.575860 (E_RNA)
where:
Base-Base interactions energy: -42.619
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.039
local terms energy: -59.917538
where:
bonds (distance) C4'-P energy: -8.909
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -6.913
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: 10
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -79.138667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.138667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.138667 (E_RNA)
where:
Base-Base interactions energy: -30.752
where: short stacking energy: -30.752
Base-Backbone interact. energy: -0.012
local terms energy: -48.374837
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -6.542
tors. eta vs tors. theta energy: 0.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -213.479906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.479906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.479906 (E_RNA)
where:
Base-Base interactions energy: -136.891
where: short stacking energy: -59.872
Base-Backbone interact. energy: -0.030
local terms energy: -76.558170
where:
bonds (distance) C4'-P energy: -15.221
bonds (distance) P-C4' energy: -18.031
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -16.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -218.019348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.019348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.019348 (E_RNA)
where:
Base-Base interactions energy: -143.149
where: short stacking energy: -62.020
Base-Backbone interact. energy: -0.649
local terms energy: -74.221761
where:
bonds (distance) C4'-P energy: -13.194
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -8.536
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: 3, replica: 9
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -129.642237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.642237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.642237 (E_RNA)
where:
Base-Base interactions energy: -60.421
where: short stacking energy: -56.014
Base-Backbone interact. energy: -0.206
local terms energy: -69.015185
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -12.067
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: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -135.890836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.890836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.890836 (E_RNA)
where:
Base-Base interactions energy: -65.482
where: short stacking energy: -47.201
Base-Backbone interact. energy: -0.182
local terms energy: -70.226249
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.063
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -112.554133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.554133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.554133 (E_RNA)
where:
Base-Base interactions energy: -42.512
where: short stacking energy: -40.903
Base-Backbone interact. energy: -0.155
local terms energy: -69.886957
where:
bonds (distance) C4'-P energy: -11.554
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -5.781
tors. eta vs tors. theta energy: -14.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -105.577157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.577157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.577157 (E_RNA)
where:
Base-Base interactions energy: -48.098
where: short stacking energy: -41.551
Base-Backbone interact. energy: -0.037
local terms energy: -57.441916
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -15.408
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -4.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -158.940783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.940783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.940783 (E_RNA)
where:
Base-Base interactions energy: -103.555
where: short stacking energy: -49.171
Base-Backbone interact. energy: -0.325
local terms energy: -55.060276
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -11.021
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -8.507
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: 8, replica: 8
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -100.097656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.097656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.097656 (E_RNA)
where:
Base-Base interactions energy: -48.790
where: short stacking energy: -41.762
Base-Backbone interact. energy: 1.883
local terms energy: -53.189839
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -11.083
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -11.013
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: 10
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -107.001676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.001676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.001676 (E_RNA)
where:
Base-Base interactions energy: -48.039
where: short stacking energy: -40.000
Base-Backbone interact. energy: -0.358
local terms energy: -58.604788
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -4.002
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -83.451655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.451655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.451655 (E_RNA)
where:
Base-Base interactions energy: -31.011
where: short stacking energy: -19.916
Base-Backbone interact. energy: -1.051
local terms energy: -51.389807
where:
bonds (distance) C4'-P energy: -9.706
bonds (distance) P-C4' energy: -18.771
flat angles C4'-P-C4' energy: -12.292
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: 0.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -218.287027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.287027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.287027 (E_RNA)
where:
Base-Base interactions energy: -144.724
where: short stacking energy: -59.504
Base-Backbone interact. energy: -0.063
local terms energy: -73.500142
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -14.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -223.953900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.953900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.953900 (E_RNA)
where:
Base-Base interactions energy: -145.657
where: short stacking energy: -75.768
Base-Backbone interact. energy: -0.026
local terms energy: -78.270304
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.027
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -22.071
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: 3, replica: 9
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -148.260723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.260723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.260723 (E_RNA)
where:
Base-Base interactions energy: -81.014
where: short stacking energy: -51.457
Base-Backbone interact. energy: -0.093
local terms energy: -67.153393
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -134.720279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.720279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.720279 (E_RNA)
where:
Base-Base interactions energy: -76.057
where: short stacking energy: -44.339
Base-Backbone interact. energy: -1.020
local terms energy: -57.643287
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -18.575
flat angles C4'-P-C4' energy: -9.844
flat angles P-C4'-P energy: -8.236
tors. eta vs tors. theta energy: -5.505
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: 19
Temperature: 1.100000
Total energy: -122.748778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.748778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.748778 (E_RNA)
where:
Base-Base interactions energy: -53.051
where: short stacking energy: -44.303
Base-Backbone interact. energy: -0.130
local terms energy: -69.568154
where:
bonds (distance) C4'-P energy: -17.651
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -8.904
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: 6, replica: 5
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -175.913218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.913218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.913218 (E_RNA)
where:
Base-Base interactions energy: -110.672
where: short stacking energy: -55.132
Base-Backbone interact. energy: -0.361
local terms energy: -64.879771
where:
bonds (distance) C4'-P energy: -11.588
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -11.823
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: 19
Temperature: 1.200000
Total energy: -104.641724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.641724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.641724 (E_RNA)
where:
Base-Base interactions energy: -37.236
where: short stacking energy: -37.236
Base-Backbone interact. energy: -0.068
local terms energy: -67.338063
where:
bonds (distance) C4'-P energy: -14.654
bonds (distance) P-C4' energy: -16.730
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -10.477
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: 8, replica: 10
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -98.809044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.809044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.809044 (E_RNA)
where:
Base-Base interactions energy: -49.483
where: short stacking energy: -36.541
Base-Backbone interact. energy: 0.995
local terms energy: -50.320539
where:
bonds (distance) C4'-P energy: -10.643
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -8.589
flat angles P-C4'-P energy: -6.693
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: 8
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -87.456830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.456830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.456830 (E_RNA)
where:
Base-Base interactions energy: -30.418
where: short stacking energy: -30.418
Base-Backbone interact. energy: -0.104
local terms energy: -56.935489
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -7.638
tors. eta vs tors. theta energy: -5.144
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: 7
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -87.569304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.569304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.569304 (E_RNA)
where:
Base-Base interactions energy: -34.938
where: short stacking energy: -34.512
Base-Backbone interact. energy: -0.057
local terms energy: -52.573544
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -235.196731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.196731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.196731 (E_RNA)
where:
Base-Base interactions energy: -154.957
where: short stacking energy: -64.565
Base-Backbone interact. energy: -0.100
local terms energy: -80.140510
where:
bonds (distance) C4'-P energy: -12.738
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -19.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -220.864030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.864030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.864030 (E_RNA)
where:
Base-Base interactions energy: -136.270
where: short stacking energy: -63.342
Base-Backbone interact. energy: -0.805
local terms energy: -83.789055
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -18.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -142.795790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.795790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.795790 (E_RNA)
where:
Base-Base interactions energy: -75.141
where: short stacking energy: -39.729
Base-Backbone interact. energy: -0.147
local terms energy: -67.507513
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -3.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -125.781965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.781965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.781965 (E_RNA)
where:
Base-Base interactions energy: -57.115
where: short stacking energy: -38.644
Base-Backbone interact. energy: -0.183
local terms energy: -68.483884
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -190.917683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.917683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.917683 (E_RNA)
where:
Base-Base interactions energy: -123.456
where: short stacking energy: -56.872
Base-Backbone interact. energy: -0.835
local terms energy: -66.626947
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -13.046
flat angles C4'-P-C4' energy: -12.215
flat angles P-C4'-P energy: -10.033
tors. eta vs tors. theta energy: -14.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -95.988440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.988440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.988440 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -41.302
Base-Backbone interact. energy: 0.343
local terms energy: -55.028817
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -12.858
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -124.855145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.855145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.855145 (E_RNA)
where:
Base-Base interactions energy: -65.363
where: short stacking energy: -52.225
Base-Backbone interact. energy: -0.510
local terms energy: -58.982625
where:
bonds (distance) C4'-P energy: -8.292
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -19.510
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -8.053
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: 6
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -97.316191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.316191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.316191 (E_RNA)
where:
Base-Base interactions energy: -42.547
where: short stacking energy: -23.773
Base-Backbone interact. energy: -0.030
local terms energy: -54.739517
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: 2.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -85.625186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.625186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.625186 (E_RNA)
where:
Base-Base interactions energy: -40.758
where: short stacking energy: -31.865
Base-Backbone interact. energy: -0.342
local terms energy: -44.524921
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -6.275
tors. eta vs tors. theta energy: -0.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -84.861234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.861234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.861234 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.336
local terms energy: -54.436123
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -6.655
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: 21
Temperature: 0.900000
Total energy: -225.670479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.670479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.670479 (E_RNA)
where:
Base-Base interactions energy: -149.528
where: short stacking energy: -65.468
Base-Backbone interact. energy: -0.021
local terms energy: -76.121397
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -7.587
tors. eta vs tors. theta energy: -17.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -209.086572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.086572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.086572 (E_RNA)
where:
Base-Base interactions energy: -133.401
where: short stacking energy: -61.489
Base-Backbone interact. energy: -0.357
local terms energy: -75.328669
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -9.192
tors. eta vs tors. theta energy: -20.904
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: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -156.605484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.605484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.605484 (E_RNA)
where:
Base-Base interactions energy: -89.744
where: short stacking energy: -44.473
Base-Backbone interact. energy: -0.396
local terms energy: -66.465053
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.553
tors. eta vs tors. theta energy: -7.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -210.623835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.623835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.623835 (E_RNA)
where:
Base-Base interactions energy: -129.213
where: short stacking energy: -71.293
Base-Backbone interact. energy: -0.546
local terms energy: -80.865327
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -15.293
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: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -112.533622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.533622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.533622 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -44.968
Base-Backbone interact. energy: 0.121
local terms energy: -63.949137
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -12.825
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -7.844
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: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -108.547241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.547241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.547241 (E_RNA)
where:
Base-Base interactions energy: -42.544
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.158
local terms energy: -65.845334
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -9.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -103.897046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.897046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.897046 (E_RNA)
where:
Base-Base interactions energy: -46.992
where: short stacking energy: -45.097
Base-Backbone interact. energy: -0.057
local terms energy: -56.847550
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -9.911
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -9.203
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: 8, replica: 6
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -107.369116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.369116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.369116 (E_RNA)
where:
Base-Base interactions energy: -54.262
where: short stacking energy: -27.280
Base-Backbone interact. energy: -0.066
local terms energy: -53.040309
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -11.696
flat angles P-C4'-P energy: -7.079
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: 9, replica: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -91.824259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.824259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.824259 (E_RNA)
where:
Base-Base interactions energy: -35.996
where: short stacking energy: -29.653
Base-Backbone interact. energy: -0.207
local terms energy: -55.620828
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -11.163
tors. eta vs tors. theta energy: 1.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -80.261331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.261331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.261331 (E_RNA)
where:
Base-Base interactions energy: -25.843
where: short stacking energy: -23.757
Base-Backbone interact. energy: -0.741
local terms energy: -53.677686
where:
bonds (distance) C4'-P energy: -9.017
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -4.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -238.773371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.773371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.773371 (E_RNA)
where:
Base-Base interactions energy: -158.122
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.216
local terms energy: -80.435593
where:
bonds (distance) C4'-P energy: -17.095
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -16.418
flat angles P-C4'-P energy: -11.492
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: 1
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -205.232037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.232037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.232037 (E_RNA)
where:
Base-Base interactions energy: -131.347
where: short stacking energy: -64.933
Base-Backbone interact. energy: -0.004
local terms energy: -73.881510
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -13.515
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -15.557
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: 3, replica: 5
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -198.413287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.413287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.413287 (E_RNA)
where:
Base-Base interactions energy: -122.256
where: short stacking energy: -56.145
Base-Backbone interact. energy: -0.136
local terms energy: -76.021018
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -12.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -154.277852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.277852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.277852 (E_RNA)
where:
Base-Base interactions energy: -81.848
where: short stacking energy: -56.986
Base-Backbone interact. energy: -0.209
local terms energy: -72.220803
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -11.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -113.858797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.858797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.858797 (E_RNA)
where:
Base-Base interactions energy: -54.609
where: short stacking energy: -37.976
Base-Backbone interact. energy: -0.289
local terms energy: -58.961556
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -8.818
tors. eta vs tors. theta energy: -6.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -102.726379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.726379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.726379 (E_RNA)
where:
Base-Base interactions energy: -49.457
where: short stacking energy: -47.347
Base-Backbone interact. energy: -0.308
local terms energy: -52.961385
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -12.372
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -10.397
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: 6
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -115.303474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.303474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.303474 (E_RNA)
where:
Base-Base interactions energy: -53.504
where: short stacking energy: -29.021
Base-Backbone interact. energy: 1.402
local terms energy: -63.201146
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -9.528
tors. eta vs tors. theta energy: -4.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -95.010639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.010639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.010639 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.074
local terms energy: -55.857095
where:
bonds (distance) C4'-P energy: -9.745
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -10.229
tors. eta vs tors. theta energy: -9.918
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: 7
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -82.792069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.792069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.792069 (E_RNA)
where:
Base-Base interactions energy: -37.704
where: short stacking energy: -35.325
Base-Backbone interact. energy: 0.962
local terms energy: -46.050108
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -12.751
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -4.560
tors. eta vs tors. theta energy: -6.515
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: 8
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -82.853520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.853520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.853520 (E_RNA)
where:
Base-Base interactions energy: -30.022
where: short stacking energy: -17.398
Base-Backbone interact. energy: 1.220
local terms energy: -54.051960
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -9.097
tors. eta vs tors. theta energy: 0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -235.790424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.790424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.790424 (E_RNA)
where:
Base-Base interactions energy: -153.709
where: short stacking energy: -71.370
Base-Backbone interact. energy: -0.157
local terms energy: -81.923809
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -17.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -200.743899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.743899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.743899 (E_RNA)
where:
Base-Base interactions energy: -123.746
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.122
local terms energy: -76.876066
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -15.714
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -15.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -203.650153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.650153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.650153 (E_RNA)
where:
Base-Base interactions energy: -134.870
where: short stacking energy: -64.903
Base-Backbone interact. energy: -0.116
local terms energy: -68.663725
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -9.063
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: 4, replica: 3
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -176.500057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.500057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.500057 (E_RNA)
where:
Base-Base interactions energy: -110.208
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.335
local terms energy: -65.956381
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -8.140
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: 10
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -117.310093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.310093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.310093 (E_RNA)
where:
Base-Base interactions energy: -59.175
where: short stacking energy: -49.767
Base-Backbone interact. energy: 1.001
local terms energy: -59.135970
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -12.109
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -12.318
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: 6, replica: 6
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -107.418382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.418382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.418382 (E_RNA)
where:
Base-Base interactions energy: -50.530
where: short stacking energy: -34.626
Base-Backbone interact. energy: 0.137
local terms energy: -57.025635
where:
bonds (distance) C4'-P energy: -14.339
bonds (distance) P-C4' energy: -18.718
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -3.837
tors. eta vs tors. theta energy: -8.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -96.544094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.544094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.544094 (E_RNA)
where:
Base-Base interactions energy: -42.473
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.030
local terms energy: -54.041005
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -12.169
flat angles P-C4'-P energy: -13.442
tors. eta vs tors. theta energy: -1.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -102.988558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.988558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.988558 (E_RNA)
where:
Base-Base interactions energy: -48.468
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.070
local terms energy: -54.450369
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -5.724
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -88.225124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.225124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.225124 (E_RNA)
where:
Base-Base interactions energy: -36.300
where: short stacking energy: -36.300
Base-Backbone interact. energy: -0.136
local terms energy: -51.788727
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -13.018
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -10.342
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: 10, replica: 8
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -108.454040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.454040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.454040 (E_RNA)
where:
Base-Base interactions energy: -53.422
where: short stacking energy: -30.792
Base-Backbone interact. energy: -0.254
local terms energy: -54.778432
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -11.595
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.625
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: 1, replica: 2
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -230.503790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.503790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.503790 (E_RNA)
where:
Base-Base interactions energy: -157.210
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.394
local terms energy: -72.899078
where:
bonds (distance) C4'-P energy: -11.161
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.541
flat angles P-C4'-P energy: -11.665
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: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -204.316656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.316656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.316656 (E_RNA)
where:
Base-Base interactions energy: -120.912
where: short stacking energy: -64.366
Base-Backbone interact. energy: -0.053
local terms energy: -83.351290
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -19.088
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: 1
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -205.093951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.093951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.093951 (E_RNA)
where:
Base-Base interactions energy: -129.709
where: short stacking energy: -58.636
Base-Backbone interact. energy: -2.226
local terms energy: -73.158702
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -14.890
flat angles C4'-P-C4' energy: -19.053
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -176.532070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.532070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.532070 (E_RNA)
where:
Base-Base interactions energy: -111.009
where: short stacking energy: -50.735
Base-Backbone interact. energy: -0.327
local terms energy: -65.196383
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -11.681
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: 6
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -123.536876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.536876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.536876 (E_RNA)
where:
Base-Base interactions energy: -66.626
where: short stacking energy: -43.450
Base-Backbone interact. energy: -0.560
local terms energy: -56.351745
where:
bonds (distance) C4'-P energy: -18.903
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -2.538
tors. eta vs tors. theta energy: -7.571
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: 6, replica: 10
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -112.959125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.959125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.959125 (E_RNA)
where:
Base-Base interactions energy: -58.653
where: short stacking energy: -30.964
Base-Backbone interact. energy: -0.686
local terms energy: -53.620083
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -12.707
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -3.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -147.616200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.616200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.616200 (E_RNA)
where:
Base-Base interactions energy: -83.922
where: short stacking energy: -43.752
Base-Backbone interact. energy: 1.305
local terms energy: -64.999506
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -9.585
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -14.425
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: 8, replica: 9
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -93.274141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.274141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.274141 (E_RNA)
where:
Base-Base interactions energy: -33.083
where: short stacking energy: -27.681
Base-Backbone interact. energy: 1.432
local terms energy: -61.622498
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -82.012021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012021 (E_RNA)
where:
Base-Base interactions energy: -32.808
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.041
local terms energy: -49.163657
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.091
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: 1.778
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: 24
Temperature: 1.350000
Total energy: -87.707143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.707143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.707143 (E_RNA)
where:
Base-Base interactions energy: -36.400
where: short stacking energy: -35.352
Base-Backbone interact. energy: -0.113
local terms energy: -51.194301
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -13.676
flat angles C4'-P-C4' energy: -14.178
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -1.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -235.742191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.742191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.742191 (E_RNA)
where:
Base-Base interactions energy: -155.748
where: short stacking energy: -77.904
Base-Backbone interact. energy: -0.167
local terms energy: -79.827321
where:
bonds (distance) C4'-P energy: -12.389
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -13.225
tors. eta vs tors. theta energy: -20.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -209.137046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.137046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.137046 (E_RNA)
where:
Base-Base interactions energy: -133.274
where: short stacking energy: -59.413
Base-Backbone interact. energy: -0.106
local terms energy: -75.757081
where:
bonds (distance) C4'-P energy: -15.171
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -214.099016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.099016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.099016 (E_RNA)
where:
Base-Base interactions energy: -134.147
where: short stacking energy: -80.489
Base-Backbone interact. energy: -0.370
local terms energy: -79.581598
where:
bonds (distance) C4'-P energy: -11.925
bonds (distance) P-C4' energy: -15.390
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -147.450705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.450705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.450705 (E_RNA)
where:
Base-Base interactions energy: -87.122
where: short stacking energy: -48.026
Base-Backbone interact. energy: -0.065
local terms energy: -60.264077
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -10.617
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -12.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -159.414656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.414656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.414656 (E_RNA)
where:
Base-Base interactions energy: -85.540
where: short stacking energy: -53.378
Base-Backbone interact. energy: 0.789
local terms energy: -74.663510
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -13.527
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: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -187.959474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.959474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.959474 (E_RNA)
where:
Base-Base interactions energy: -109.171
where: short stacking energy: -53.488
Base-Backbone interact. energy: -0.371
local terms energy: -78.417912
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -150.370684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.370684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.370684 (E_RNA)
where:
Base-Base interactions energy: -85.986
where: short stacking energy: -39.527
Base-Backbone interact. energy: -0.479
local terms energy: -63.906092
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -18.062
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -3.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -97.892765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.892765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.892765 (E_RNA)
where:
Base-Base interactions energy: -41.419
where: short stacking energy: -30.486
Base-Backbone interact. energy: -0.231
local terms energy: -56.242908
where:
bonds (distance) C4'-P energy: -10.527
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -2.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -95.730270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.730270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.730270 (E_RNA)
where:
Base-Base interactions energy: -38.229
where: short stacking energy: -21.270
Base-Backbone interact. energy: -0.832
local terms energy: -56.669566
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -11.312
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -90.544372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.544372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.544372 (E_RNA)
where:
Base-Base interactions energy: -36.896
where: short stacking energy: -30.727
Base-Backbone interact. energy: -0.389
local terms energy: -53.259409
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -11.494
flat angles P-C4'-P energy: -5.824
tors. eta vs tors. theta energy: -3.158
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: 1
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -207.566850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.566850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.566850 (E_RNA)
where:
Base-Base interactions energy: -128.388
where: short stacking energy: -64.771
Base-Backbone interact. energy: -0.042
local terms energy: -79.136651
where:
bonds (distance) C4'-P energy: -13.890
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.970
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -16.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -227.551182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.551182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.551182 (E_RNA)
where:
Base-Base interactions energy: -151.257
where: short stacking energy: -63.928
Base-Backbone interact. energy: 1.104
local terms energy: -77.397514
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -7.213
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: 3, replica: 6
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -188.607540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.607540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.607540 (E_RNA)
where:
Base-Base interactions energy: -123.543
where: short stacking energy: -60.757
Base-Backbone interact. energy: -0.010
local terms energy: -65.054435
where:
bonds (distance) C4'-P energy: -12.481
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -7.314
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: 5
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -198.356851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.356851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.356851 (E_RNA)
where:
Base-Base interactions energy: -123.205
where: short stacking energy: -65.049
Base-Backbone interact. energy: -0.112
local terms energy: -75.039532
where:
bonds (distance) C4'-P energy: -11.883
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -15.123
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: 7
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -177.193955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.193955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.193955 (E_RNA)
where:
Base-Base interactions energy: -104.443
where: short stacking energy: -56.106
Base-Backbone interact. energy: -0.017
local terms energy: -72.733504
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -7.482
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: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -143.317584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.317584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.317584 (E_RNA)
where:
Base-Base interactions energy: -76.696
where: short stacking energy: -47.079
Base-Backbone interact. energy: -0.021
local terms energy: -66.600454
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -14.778
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -9.344
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: 8
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -107.033700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.033700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.033700 (E_RNA)
where:
Base-Base interactions energy: -58.709
where: short stacking energy: -38.616
Base-Backbone interact. energy: 0.707
local terms energy: -49.030859
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -11.039
flat angles C4'-P-C4' energy: -12.316
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: -5.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -123.368621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.368621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.368621 (E_RNA)
where:
Base-Base interactions energy: -66.178
where: short stacking energy: -35.980
Base-Backbone interact. energy: -0.146
local terms energy: -57.044711
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -9.101
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -8.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -86.765110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.765110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.765110 (E_RNA)
where:
Base-Base interactions energy: -37.808
where: short stacking energy: -24.638
Base-Backbone interact. energy: -0.016
local terms energy: -48.941081
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -90.825770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825770 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -32.824
Base-Backbone interact. energy: -0.051
local terms energy: -54.234303
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -10.331
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -4.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -222.475407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.475407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.475407 (E_RNA)
where:
Base-Base interactions energy: -142.995
where: short stacking energy: -60.821
Base-Backbone interact. energy: 0.014
local terms energy: -79.494298
where:
bonds (distance) C4'-P energy: -18.616
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -15.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -206.617226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.617226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.617226 (E_RNA)
where:
Base-Base interactions energy: -128.806
where: short stacking energy: -73.938
Base-Backbone interact. energy: -0.012
local terms energy: -77.799010
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -17.510
flat angles P-C4'-P energy: -5.627
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -213.872121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.872121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.872121 (E_RNA)
where:
Base-Base interactions energy: -139.221
where: short stacking energy: -68.131
Base-Backbone interact. energy: 0.081
local terms energy: -74.732546
where:
bonds (distance) C4'-P energy: -11.563
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -16.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -197.553417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.553417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.553417 (E_RNA)
where:
Base-Base interactions energy: -125.778
where: short stacking energy: -63.498
Base-Backbone interact. energy: -0.003
local terms energy: -71.772194
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -180.831834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.831834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.831834 (E_RNA)
where:
Base-Base interactions energy: -120.352
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.002
local terms energy: -60.478555
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -11.343
flat angles C4'-P-C4' energy: -14.035
flat angles P-C4'-P energy: -9.499
tors. eta vs tors. theta energy: -15.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -109.711248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.711248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.711248 (E_RNA)
where:
Base-Base interactions energy: -40.337
where: short stacking energy: -33.894
Base-Backbone interact. energy: -0.138
local terms energy: -69.236582
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -12.989
tors. eta vs tors. theta energy: -7.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -101.141991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.141991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.141991 (E_RNA)
where:
Base-Base interactions energy: -37.638
where: short stacking energy: -39.138
Base-Backbone interact. energy: -0.794
local terms energy: -62.710586
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -7.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -91.280787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.280787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.280787 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -27.924
Base-Backbone interact. energy: -0.682
local terms energy: -59.647327
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -11.183
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -0.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -89.525030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.525030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.525030 (E_RNA)
where:
Base-Base interactions energy: -37.186
where: short stacking energy: -36.519
Base-Backbone interact. energy: 0.142
local terms energy: -52.481677
where:
bonds (distance) C4'-P energy: -12.232
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -4.889
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: 10, replica: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -84.057828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057828 (E_RNA)
where:
Base-Base interactions energy: -29.773
where: short stacking energy: -29.365
Base-Backbone interact. energy: 0.460
local terms energy: -54.744366
where:
bonds (distance) C4'-P energy: -16.418
bonds (distance) P-C4' energy: -11.025
flat angles C4'-P-C4' energy: -11.753
flat angles P-C4'-P energy: -7.508
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: 1, replica: 6
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -197.349167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.349167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.349167 (E_RNA)
where:
Base-Base interactions energy: -121.905
where: short stacking energy: -60.683
Base-Backbone interact. energy: -0.095
local terms energy: -75.348227
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: -15.166
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: 2, replica: 1
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -219.673570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.673570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.673570 (E_RNA)
where:
Base-Base interactions energy: -136.510
where: short stacking energy: -61.741
Base-Backbone interact. energy: -0.107
local terms energy: -83.057041
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.002
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: 2
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -203.556877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.556877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.556877 (E_RNA)
where:
Base-Base interactions energy: -134.636
where: short stacking energy: -63.707
Base-Backbone interact. energy: 0.789
local terms energy: -69.709413
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -11.516
flat angles P-C4'-P energy: -10.738
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: 4, replica: 7
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -185.641091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.641091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.641091 (E_RNA)
where:
Base-Base interactions energy: -113.856
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.233
local terms energy: -71.551613
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -13.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -113.909324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.909324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.909324 (E_RNA)
where:
Base-Base interactions energy: -60.185
where: short stacking energy: -18.746
Base-Backbone interact. energy: 0.456
local terms energy: -54.180762
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -8.979
tors. eta vs tors. theta energy: -1.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -167.927468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.927468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.927468 (E_RNA)
where:
Base-Base interactions energy: -103.543
where: short stacking energy: -45.926
Base-Backbone interact. energy: -0.142
local terms energy: -64.242050
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -10.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -149.365937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.365937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.365937 (E_RNA)
where:
Base-Base interactions energy: -91.765
where: short stacking energy: -47.720
Base-Backbone interact. energy: -0.214
local terms energy: -57.387486
where:
bonds (distance) C4'-P energy: -10.184
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -8.097
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: 4
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -90.009184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.009184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.009184 (E_RNA)
where:
Base-Base interactions energy: -31.761
where: short stacking energy: -31.523
Base-Backbone interact. energy: -0.226
local terms energy: -58.022451
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -0.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -90.579947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.579947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.579947 (E_RNA)
where:
Base-Base interactions energy: -37.374
where: short stacking energy: -22.032
Base-Backbone interact. energy: 0.193
local terms energy: -53.398318
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -12.420
flat angles C4'-P-C4' energy: -16.555
flat angles P-C4'-P energy: 0.500
tors. eta vs tors. theta energy: -7.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -102.025475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.025475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.025475 (E_RNA)
where:
Base-Base interactions energy: -37.084
where: short stacking energy: -35.227
Base-Backbone interact. energy: -0.037
local terms energy: -64.904265
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.165
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -9.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -205.195256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.195256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.195256 (E_RNA)
where:
Base-Base interactions energy: -132.562
where: short stacking energy: -61.129
Base-Backbone interact. energy: -0.355
local terms energy: -72.278539
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -16.079
flat angles C4'-P-C4' energy: -14.753
flat angles P-C4'-P energy: -11.658
tors. eta vs tors. theta energy: -12.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -221.364938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.364938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.364938 (E_RNA)
where:
Base-Base interactions energy: -155.844
where: short stacking energy: -70.674
Base-Backbone interact. energy: 0.513
local terms energy: -66.033129
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -13.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -209.050991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.050991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.050991 (E_RNA)
where:
Base-Base interactions energy: -128.868
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.212
local terms energy: -79.970861
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -10.838
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: 4, replica: 7
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -185.890737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.890737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.890737 (E_RNA)
where:
Base-Base interactions energy: -111.480
where: short stacking energy: -60.514
Base-Backbone interact. energy: 1.539
local terms energy: -75.948975
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -13.722
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -132.731448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.731448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.731448 (E_RNA)
where:
Base-Base interactions energy: -66.974
where: short stacking energy: -52.723
Base-Backbone interact. energy: -0.849
local terms energy: -64.908780
where:
bonds (distance) C4'-P energy: -9.410
bonds (distance) P-C4' energy: -14.801
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -10.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -114.364397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.364397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.364397 (E_RNA)
where:
Base-Base interactions energy: -44.518
where: short stacking energy: -35.908
Base-Backbone interact. energy: -0.714
local terms energy: -69.132777
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -9.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -173.140918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.140918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.140918 (E_RNA)
where:
Base-Base interactions energy: -99.972
where: short stacking energy: -45.213
Base-Backbone interact. energy: -0.032
local terms energy: -73.137548
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -12.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -95.346978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.346978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.346978 (E_RNA)
where:
Base-Base interactions energy: -40.518
where: short stacking energy: -36.764
Base-Backbone interact. energy: -0.001
local terms energy: -54.827682
where:
bonds (distance) C4'-P energy: -12.405
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -5.649
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: 9, replica: 4
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -84.436821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.436821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.436821 (E_RNA)
where:
Base-Base interactions energy: -28.419
where: short stacking energy: -24.838
Base-Backbone interact. energy: 0.114
local terms energy: -56.131495
where:
bonds (distance) C4'-P energy: -7.439
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -95.513103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.513103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.513103 (E_RNA)
where:
Base-Base interactions energy: -34.224
where: short stacking energy: -28.363
Base-Backbone interact. energy: 0.571
local terms energy: -61.860479
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -232.876305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.876305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.876305 (E_RNA)
where:
Base-Base interactions energy: -154.189
where: short stacking energy: -65.542
Base-Backbone interact. energy: -1.279
local terms energy: -77.408558
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -14.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -202.284403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.284403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.284403 (E_RNA)
where:
Base-Base interactions energy: -122.159
where: short stacking energy: -65.303
Base-Backbone interact. energy: -0.093
local terms energy: -80.032071
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -21.732
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: 7
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -206.668567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.668567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.668567 (E_RNA)
where:
Base-Base interactions energy: -129.763
where: short stacking energy: -61.664
Base-Backbone interact. energy: -0.126
local terms energy: -76.779811
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -14.655
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -12.210
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: 4, replica: 2
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -206.490200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.490200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.490200 (E_RNA)
where:
Base-Base interactions energy: -137.696
where: short stacking energy: -63.314
Base-Backbone interact. energy: -0.580
local terms energy: -68.214487
where:
bonds (distance) C4'-P energy: -8.696
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -126.979354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.979354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.979354 (E_RNA)
where:
Base-Base interactions energy: -67.334
where: short stacking energy: -38.327
Base-Backbone interact. energy: -1.805
local terms energy: -57.840231
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -11.572
flat angles P-C4'-P energy: -10.753
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: 6, replica: 8
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -94.231432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231432 (E_RNA)
where:
Base-Base interactions energy: -32.190
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.303
local terms energy: -61.739234
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -169.599021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.599021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.599021 (E_RNA)
where:
Base-Base interactions energy: -103.845
where: short stacking energy: -41.277
Base-Backbone interact. energy: -0.016
local terms energy: -65.737208
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -12.785
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: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -90.159866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.159866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.159866 (E_RNA)
where:
Base-Base interactions energy: -37.554
where: short stacking energy: -21.564
Base-Backbone interact. energy: -0.196
local terms energy: -52.410713
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -4.097
tors. eta vs tors. theta energy: -1.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -84.031449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.031449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.031449 (E_RNA)
where:
Base-Base interactions energy: -36.820
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.266
local terms energy: -46.945230
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -11.777
flat angles P-C4'-P energy: -6.914
tors. eta vs tors. theta energy: -1.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -80.949527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.949527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.949527 (E_RNA)
where:
Base-Base interactions energy: -25.099
where: short stacking energy: -23.482
Base-Backbone interact. energy: -0.224
local terms energy: -55.626272
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -13.166
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -9.302
tors. eta vs tors. theta energy: -0.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -238.149203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.149203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.149203 (E_RNA)
where:
Base-Base interactions energy: -166.425
where: short stacking energy: -68.198
Base-Backbone interact. energy: 0.715
local terms energy: -72.439461
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -13.495
flat angles P-C4'-P energy: -13.496
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: 2, replica: 7
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -203.647447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.647447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.647447 (E_RNA)
where:
Base-Base interactions energy: -125.524
where: short stacking energy: -69.963
Base-Backbone interact. energy: -0.109
local terms energy: -78.014349
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -210.446326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.446326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.446326 (E_RNA)
where:
Base-Base interactions energy: -134.845
where: short stacking energy: -63.015
Base-Backbone interact. energy: -0.045
local terms energy: -75.556519
where:
bonds (distance) C4'-P energy: -19.804
bonds (distance) P-C4' energy: -12.235
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -10.741
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: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -219.312936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.312936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.312936 (E_RNA)
where:
Base-Base interactions energy: -139.866
where: short stacking energy: -61.190
Base-Backbone interact. energy: -0.165
local terms energy: -79.282404
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -152.332131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.332131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.332131 (E_RNA)
where:
Base-Base interactions energy: -81.079
where: short stacking energy: -46.621
Base-Backbone interact. energy: -0.164
local terms energy: -71.088999
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -14.234
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: 5
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -117.339525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.339525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.339525 (E_RNA)
where:
Base-Base interactions energy: -60.762
where: short stacking energy: -41.048
Base-Backbone interact. energy: -0.053
local terms energy: -56.524441
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -11.205
flat angles P-C4'-P energy: -5.489
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -99.713529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.713529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.713529 (E_RNA)
where:
Base-Base interactions energy: -39.124
where: short stacking energy: -39.124
Base-Backbone interact. energy: -0.147
local terms energy: -60.442354
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -7.553
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -94.848707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.848707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.848707 (E_RNA)
where:
Base-Base interactions energy: -37.970
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.285
local terms energy: -56.593802
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -10.069
flat angles P-C4'-P energy: -9.598
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -86.150523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.150523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.150523 (E_RNA)
where:
Base-Base interactions energy: -33.922
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.234
local terms energy: -52.462978
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -82.006583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.006583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.006583 (E_RNA)
where:
Base-Base interactions energy: -38.280
where: short stacking energy: -30.181
Base-Backbone interact. energy: -1.222
local terms energy: -42.504883
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -1.389
tors. eta vs tors. theta energy: -4.333
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: 7
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -208.509093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.509093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.509093 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.027
local terms energy: -82.639536
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -12.716
tors. eta vs tors. theta energy: -17.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -224.662136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.662136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.662136 (E_RNA)
where:
Base-Base interactions energy: -150.255
where: short stacking energy: -69.183
Base-Backbone interact. energy: -0.099
local terms energy: -74.308204
where:
bonds (distance) C4'-P energy: -17.713
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -10.229
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: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -203.271534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.271534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.271534 (E_RNA)
where:
Base-Base interactions energy: -129.267
where: short stacking energy: -56.891
Base-Backbone interact. energy: -0.300
local terms energy: -73.703868
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.180
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: 4, replica: 6
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -188.171138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.171138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.171138 (E_RNA)
where:
Base-Base interactions energy: -110.371
where: short stacking energy: -71.553
Base-Backbone interact. energy: -0.014
local terms energy: -77.786576
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -11.202
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -11.260
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -171.093000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.093000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.093000 (E_RNA)
where:
Base-Base interactions energy: -95.512
where: short stacking energy: -60.219
Base-Backbone interact. energy: -0.102
local terms energy: -75.478847
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -16.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -111.493779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.493779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.493779 (E_RNA)
where:
Base-Base interactions energy: -57.166
where: short stacking energy: -50.043
Base-Backbone interact. energy: -0.101
local terms energy: -54.226794
where:
bonds (distance) C4'-P energy: -11.020
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -14.851
flat angles P-C4'-P energy: -5.252
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: 7, replica: 9
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -91.982362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.982362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.982362 (E_RNA)
where:
Base-Base interactions energy: -41.322
where: short stacking energy: -35.555
Base-Backbone interact. energy: -0.145
local terms energy: -50.514942
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -8.946
flat angles P-C4'-P energy: -13.038
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: 8, replica: 8
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -104.124722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.124722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.124722 (E_RNA)
where:
Base-Base interactions energy: -44.627
where: short stacking energy: -37.346
Base-Backbone interact. energy: -0.025
local terms energy: -59.472502
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -7.852
flat angles P-C4'-P energy: -8.102
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: 4
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -90.925127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.925127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.925127 (E_RNA)
where:
Base-Base interactions energy: -40.921
where: short stacking energy: -27.372
Base-Backbone interact. energy: 0.887
local terms energy: -50.891031
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -10.034
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: 10
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -83.803772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.803772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.803772 (E_RNA)
where:
Base-Base interactions energy: -35.083
where: short stacking energy: -20.925
Base-Backbone interact. energy: 0.271
local terms energy: -48.992006
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -12.261
flat angles C4'-P-C4' energy: -13.508
flat angles P-C4'-P energy: -7.517
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: 7
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -211.177114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.177114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.177114 (E_RNA)
where:
Base-Base interactions energy: -134.729
where: short stacking energy: -71.850
Base-Backbone interact. energy: 0.120
local terms energy: -76.567470
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -8.686
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: 1
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -209.382655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.382655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.382655 (E_RNA)
where:
Base-Base interactions energy: -132.390
where: short stacking energy: -69.559
Base-Backbone interact. energy: -0.017
local terms energy: -76.975064
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -10.998
tors. eta vs tors. theta energy: -16.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -213.896976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.896976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.896976 (E_RNA)
where:
Base-Base interactions energy: -134.576
where: short stacking energy: -70.554
Base-Backbone interact. energy: -0.007
local terms energy: -79.314140
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.231
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -189.484661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.484661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.484661 (E_RNA)
where:
Base-Base interactions energy: -108.848
where: short stacking energy: -68.220
Base-Backbone interact. energy: -0.030
local terms energy: -80.607545
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -16.827
flat angles P-C4'-P energy: -11.121
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -189.770489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.770489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.770489 (E_RNA)
where:
Base-Base interactions energy: -119.734
where: short stacking energy: -64.668
Base-Backbone interact. energy: -0.399
local terms energy: -69.637155
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -12.314
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: 6, replica: 9
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -120.705182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.705182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.705182 (E_RNA)
where:
Base-Base interactions energy: -58.456
where: short stacking energy: -49.792
Base-Backbone interact. energy: 0.580
local terms energy: -62.828899
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -14.420
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -10.757
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: 7, replica: 5
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -103.990945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.990945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.990945 (E_RNA)
where:
Base-Base interactions energy: -43.610
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.114
local terms energy: -60.266636
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -5.268
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: 8, replica: 4
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -88.206367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.206367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.206367 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -34.856
Base-Backbone interact. energy: 2.994
local terms energy: -56.343445
where:
bonds (distance) C4'-P energy: -10.815
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -82.823766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.823766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.823766 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -36.937
Base-Backbone interact. energy: -0.192
local terms energy: -45.213122
where:
bonds (distance) C4'-P energy: -2.948
bonds (distance) P-C4' energy: -11.146
flat angles C4'-P-C4' energy: -12.834
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -8.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -86.272785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.272785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.272785 (E_RNA)
where:
Base-Base interactions energy: -38.445
where: short stacking energy: -36.397
Base-Backbone interact. energy: 1.135
local terms energy: -48.962655
where:
bonds (distance) C4'-P energy: -14.638
bonds (distance) P-C4' energy: -13.186
flat angles C4'-P-C4' energy: -11.822
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -208.463450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.463450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.463450 (E_RNA)
where:
Base-Base interactions energy: -126.916
where: short stacking energy: -72.747
Base-Backbone interact. energy: -0.020
local terms energy: -81.527581
where:
bonds (distance) C4'-P energy: -16.709
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -17.318
flat angles P-C4'-P energy: -14.927
tors. eta vs tors. theta energy: -19.100
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: 34
Temperature: 0.950000
Total energy: -218.775836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.775836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.775836 (E_RNA)
where:
Base-Base interactions energy: -146.006
where: short stacking energy: -72.440
Base-Backbone interact. energy: 0.070
local terms energy: -72.839445
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -8.829
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: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -190.230954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.230954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.230954 (E_RNA)
where:
Base-Base interactions energy: -116.220
where: short stacking energy: -61.605
Base-Backbone interact. energy: -0.006
local terms energy: -74.004900
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -18.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -197.050748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.050748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.050748 (E_RNA)
where:
Base-Base interactions energy: -126.573
where: short stacking energy: -61.541
Base-Backbone interact. energy: -0.275
local terms energy: -70.202958
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -17.827
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -13.005
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: 34
Temperature: 1.100000
Total energy: -177.201663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.201663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.201663 (E_RNA)
where:
Base-Base interactions energy: -104.143
where: short stacking energy: -48.577
Base-Backbone interact. energy: -0.114
local terms energy: -72.945103
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: -16.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -98.844390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.844390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.844390 (E_RNA)
where:
Base-Base interactions energy: -37.776
where: short stacking energy: -37.776
Base-Backbone interact. energy: -0.057
local terms energy: -61.010827
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -8.758
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: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -92.629934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.629934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.629934 (E_RNA)
where:
Base-Base interactions energy: -31.926
where: short stacking energy: -31.355
Base-Backbone interact. energy: 0.908
local terms energy: -61.612094
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -14.218
flat angles P-C4'-P energy: -12.113
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -109.448545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.448545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.448545 (E_RNA)
where:
Base-Base interactions energy: -64.569
where: short stacking energy: -39.628
Base-Backbone interact. energy: -0.153
local terms energy: -44.726564
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -16.832
flat angles C4'-P-C4' energy: -11.036
flat angles P-C4'-P energy: -8.736
tors. eta vs tors. theta energy: -0.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -86.130035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.130035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.130035 (E_RNA)
where:
Base-Base interactions energy: -35.513
where: short stacking energy: -32.338
Base-Backbone interact. energy: -0.060
local terms energy: -50.556753
where:
bonds (distance) C4'-P energy: -11.924
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -10.654
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -94.571253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.571253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.571253 (E_RNA)
where:
Base-Base interactions energy: -48.094
where: short stacking energy: -24.230
Base-Backbone interact. energy: -1.248
local terms energy: -45.229485
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: 0.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -202.629941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.629941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.629941 (E_RNA)
where:
Base-Base interactions energy: -119.881
where: short stacking energy: -76.447
Base-Backbone interact. energy: -0.000
local terms energy: -82.748320
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -14.307
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -211.078321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.078321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.078321 (E_RNA)
where:
Base-Base interactions energy: -129.813
where: short stacking energy: -72.807
Base-Backbone interact. energy: -0.005
local terms energy: -81.260293
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -13.829
flat angles P-C4'-P energy: -14.842
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -205.332310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.332310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.332310 (E_RNA)
where:
Base-Base interactions energy: -129.722
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.065
local terms energy: -75.545119
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -9.555
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -22.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -202.879642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.879642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.879642 (E_RNA)
where:
Base-Base interactions energy: -122.160
where: short stacking energy: -64.242
Base-Backbone interact. energy: -0.011
local terms energy: -80.708435
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -14.365
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -16.917
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: 35
Temperature: 1.100000
Total energy: -185.820644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.820644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.820644 (E_RNA)
where:
Base-Base interactions energy: -111.524
where: short stacking energy: -59.345
Base-Backbone interact. energy: -0.055
local terms energy: -74.241396
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -16.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -97.473158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.473158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.473158 (E_RNA)
where:
Base-Base interactions energy: -40.600
where: short stacking energy: -38.906
Base-Backbone interact. energy: -0.004
local terms energy: -56.869126
where:
bonds (distance) C4'-P energy: -11.966
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -15.760
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -98.500746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.500746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.500746 (E_RNA)
where:
Base-Base interactions energy: -41.444
where: short stacking energy: -35.326
Base-Backbone interact. energy: -0.061
local terms energy: -56.994937
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -9.607
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -5.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -90.601539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.601539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.601539 (E_RNA)
where:
Base-Base interactions energy: -40.660
where: short stacking energy: -31.615
Base-Backbone interact. energy: -0.321
local terms energy: -49.620905
where:
bonds (distance) C4'-P energy: -9.170
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -11.902
tors. eta vs tors. theta energy: 2.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -88.653876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.653876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.653876 (E_RNA)
where:
Base-Base interactions energy: -32.795
where: short stacking energy: -31.977
Base-Backbone interact. energy: 0.166
local terms energy: -56.024416
where:
bonds (distance) C4'-P energy: -15.036
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -4.949
tors. eta vs tors. theta energy: -5.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -83.060057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060057 (E_RNA)
where:
Base-Base interactions energy: -31.410
where: short stacking energy: -30.602
Base-Backbone interact. energy: -0.403
local terms energy: -51.247212
where:
bonds (distance) C4'-P energy: -12.799
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -2.720
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: 3
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -207.306211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.306211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.306211 (E_RNA)
where:
Base-Base interactions energy: -124.244
where: short stacking energy: -68.504
Base-Backbone interact. energy: -0.041
local terms energy: -83.021498
where:
bonds (distance) C4'-P energy: -18.873
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -15.154
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -17.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -205.447204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.447204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.447204 (E_RNA)
where:
Base-Base interactions energy: -128.362
where: short stacking energy: -64.480
Base-Backbone interact. energy: -0.004
local terms energy: -77.081672
where:
bonds (distance) C4'-P energy: -18.211
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -10.767
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: 3, replica: 7
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -207.656424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.656424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.656424 (E_RNA)
where:
Base-Base interactions energy: -129.510
where: short stacking energy: -81.303
Base-Backbone interact. energy: -0.004
local terms energy: -78.142147
where:
bonds (distance) C4'-P energy: -17.072
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -16.034
flat angles P-C4'-P energy: -9.647
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -204.723500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.723500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.723500 (E_RNA)
where:
Base-Base interactions energy: -135.175
where: short stacking energy: -59.253
Base-Backbone interact. energy: -0.086
local terms energy: -69.463179
where:
bonds (distance) C4'-P energy: -10.379
bonds (distance) P-C4' energy: -12.982
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -19.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -172.278302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.278302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.278302 (E_RNA)
where:
Base-Base interactions energy: -100.035
where: short stacking energy: -51.761
Base-Backbone interact. energy: -0.185
local terms energy: -72.058142
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -13.840
flat angles P-C4'-P energy: -13.348
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: 36
Temperature: 1.150000
Total energy: -112.624530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.624530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.624530 (E_RNA)
where:
Base-Base interactions energy: -53.456
where: short stacking energy: -42.662
Base-Backbone interact. energy: -0.334
local terms energy: -58.834803
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -7.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -113.500543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.500543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.500543 (E_RNA)
where:
Base-Base interactions energy: -48.907
where: short stacking energy: -47.350
Base-Backbone interact. energy: -0.790
local terms energy: -63.803000
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -2.651
tors. eta vs tors. theta energy: -10.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -86.772612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.772612 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -31.561
Base-Backbone interact. energy: -0.495
local terms energy: -54.716664
where:
bonds (distance) C4'-P energy: -13.730
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -5.623
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -83.287157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.287157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.287157 (E_RNA)
where:
Base-Base interactions energy: -29.568
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.144
local terms energy: -53.575437
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -8.441
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: 10, replica: 10
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -91.013412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.013412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.013412 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -27.108
Base-Backbone interact. energy: -0.185
local terms energy: -50.499137
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -8.355
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: 0.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -193.133262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.133262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.133262 (E_RNA)
where:
Base-Base interactions energy: -114.051
where: short stacking energy: -62.372
Base-Backbone interact. energy: -0.061
local terms energy: -79.021916
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -18.007
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -211.344845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.344845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.344845 (E_RNA)
where:
Base-Base interactions energy: -131.204
where: short stacking energy: -63.050
Base-Backbone interact. energy: -0.367
local terms energy: -79.774579
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -16.739
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -16.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -202.033198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.033198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.033198 (E_RNA)
where:
Base-Base interactions energy: -123.720
where: short stacking energy: -66.171
Base-Backbone interact. energy: -0.099
local terms energy: -78.214048
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -15.500
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -16.118
tors. eta vs tors. theta energy: -15.957
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: 4, replica: 2
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -208.913331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.913331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.913331 (E_RNA)
where:
Base-Base interactions energy: -143.668
where: short stacking energy: -78.273
Base-Backbone interact. energy: -0.004
local terms energy: -65.240870
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -14.251
flat angles P-C4'-P energy: -7.882
tors. eta vs tors. theta energy: -20.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -195.823822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.823822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.823822 (E_RNA)
where:
Base-Base interactions energy: -120.090
where: short stacking energy: -67.768
Base-Backbone interact. energy: -0.030
local terms energy: -75.703346
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -18.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -106.324421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.324421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.324421 (E_RNA)
where:
Base-Base interactions energy: -46.633
where: short stacking energy: -42.882
Base-Backbone interact. energy: 0.307
local terms energy: -59.998553
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.917
flat angles P-C4'-P energy: -8.289
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: 7, replica: 9
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -96.688519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.688519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.688519 (E_RNA)
where:
Base-Base interactions energy: -36.479
where: short stacking energy: -32.747
Base-Backbone interact. energy: -0.076
local terms energy: -60.133465
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -99.147642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.147642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.147642 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -41.170
Base-Backbone interact. energy: -0.204
local terms energy: -55.841370
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -5.975
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: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -85.436013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.436013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.436013 (E_RNA)
where:
Base-Base interactions energy: -31.238
where: short stacking energy: -29.582
Base-Backbone interact. energy: -0.371
local terms energy: -53.826738
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -11.631
flat angles C4'-P-C4' energy: -16.451
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: 0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -84.491624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.491624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.491624 (E_RNA)
where:
Base-Base interactions energy: -32.815
where: short stacking energy: -31.411
Base-Backbone interact. energy: -0.026
local terms energy: -51.650916
where:
bonds (distance) C4'-P energy: -10.936
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: 1.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -219.799715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.799715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.799715 (E_RNA)
where:
Base-Base interactions energy: -129.578
where: short stacking energy: -74.898
Base-Backbone interact. energy: -0.014
local terms energy: -90.208138
where:
bonds (distance) C4'-P energy: -19.954
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -12.595
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: 3
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -191.853477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.853477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.853477 (E_RNA)
where:
Base-Base interactions energy: -109.964
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.479
local terms energy: -81.410896
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -19.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -211.939595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.939595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.939595 (E_RNA)
where:
Base-Base interactions energy: -130.998
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.020
local terms energy: -80.921444
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -13.084
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: 1
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -185.587377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.587377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.587377 (E_RNA)
where:
Base-Base interactions energy: -110.056
where: short stacking energy: -64.772
Base-Backbone interact. energy: -0.103
local terms energy: -75.428263
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -9.281
tors. eta vs tors. theta energy: -17.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -179.673377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.673377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.673377 (E_RNA)
where:
Base-Base interactions energy: -119.316
where: short stacking energy: -46.543
Base-Backbone interact. energy: -0.099
local terms energy: -60.258390
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -11.394
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: 6, replica: 5
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -113.400043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.400043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.400043 (E_RNA)
where:
Base-Base interactions energy: -49.916
where: short stacking energy: -46.297
Base-Backbone interact. energy: -0.113
local terms energy: -63.370723
where:
bonds (distance) C4'-P energy: -11.133
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -11.102
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -92.582952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.582952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.582952 (E_RNA)
where:
Base-Base interactions energy: -30.117
where: short stacking energy: -25.436
Base-Backbone interact. energy: -0.026
local terms energy: -62.440575
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -5.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -84.455462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.455462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.455462 (E_RNA)
where:
Base-Base interactions energy: -35.752
where: short stacking energy: -24.322
Base-Backbone interact. energy: 3.019
local terms energy: -51.723030
where:
bonds (distance) C4'-P energy: -11.922
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -8.160
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: 10
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -98.084887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.084887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.084887 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -40.780
Base-Backbone interact. energy: -0.028
local terms energy: -57.277654
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -12.801
flat angles P-C4'-P energy: -7.826
tors. eta vs tors. theta energy: -9.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -84.332405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.332405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.332405 (E_RNA)
where:
Base-Base interactions energy: -25.049
where: short stacking energy: -25.049
Base-Backbone interact. energy: -0.176
local terms energy: -59.106972
where:
bonds (distance) C4'-P energy: -12.899
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -10.961
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -223.217874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.217874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.217874 (E_RNA)
where:
Base-Base interactions energy: -142.347
where: short stacking energy: -84.853
Base-Backbone interact. energy: 0.655
local terms energy: -81.526203
where:
bonds (distance) C4'-P energy: -12.869
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -15.892
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -24.610
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: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -216.750184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.750184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.750184 (E_RNA)
where:
Base-Base interactions energy: -138.102
where: short stacking energy: -69.621
Base-Backbone interact. energy: -0.631
local terms energy: -78.016948
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -12.927
flat angles C4'-P-C4' energy: -19.801
flat angles P-C4'-P energy: -13.027
tors. eta vs tors. theta energy: -18.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -194.292956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.292956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.292956 (E_RNA)
where:
Base-Base interactions energy: -111.868
where: short stacking energy: -75.090
Base-Backbone interact. energy: -0.047
local terms energy: -82.377885
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -11.786
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: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -179.231544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.231544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.231544 (E_RNA)
where:
Base-Base interactions energy: -113.019
where: short stacking energy: -53.978
Base-Backbone interact. energy: -0.435
local terms energy: -65.777878
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -10.467
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: 6
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -175.856171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.856171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.856171 (E_RNA)
where:
Base-Base interactions energy: -108.493
where: short stacking energy: -58.696
Base-Backbone interact. energy: -0.335
local terms energy: -67.027270
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -10.178
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -14.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -125.284109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.284109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.284109 (E_RNA)
where:
Base-Base interactions energy: -64.265
where: short stacking energy: -38.167
Base-Backbone interact. energy: -0.944
local terms energy: -60.075229
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -6.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -99.762379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.762379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.762379 (E_RNA)
where:
Base-Base interactions energy: -39.677
where: short stacking energy: -39.430
Base-Backbone interact. energy: -0.095
local terms energy: -59.990376
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -1.521
tors. eta vs tors. theta energy: -9.889
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: 8, replica: 10
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -99.332754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.332754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.332754 (E_RNA)
where:
Base-Base interactions energy: -38.318
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.706
local terms energy: -60.308734
where:
bonds (distance) C4'-P energy: -13.438
bonds (distance) P-C4' energy: -16.646
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -2.597
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: 39
Temperature: 1.300000
Total energy: -80.337303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.337303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.337303 (E_RNA)
where:
Base-Base interactions energy: -33.056
where: short stacking energy: -29.683
Base-Backbone interact. energy: 2.074
local terms energy: -49.355601
where:
bonds (distance) C4'-P energy: -8.492
bonds (distance) P-C4' energy: -11.756
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -2.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -87.462911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.462911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.462911 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -31.211
Base-Backbone interact. energy: -0.792
local terms energy: -49.042847
where:
bonds (distance) C4'-P energy: -12.887
bonds (distance) P-C4' energy: -13.703
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: 0.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -227.635768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.635768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.635768 (E_RNA)
where:
Base-Base interactions energy: -137.127
where: short stacking energy: -76.100
Base-Backbone interact. energy: -2.973
local terms energy: -87.536056
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -22.800
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: 2
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -202.300799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.300799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.300799 (E_RNA)
where:
Base-Base interactions energy: -131.336
where: short stacking energy: -66.480
Base-Backbone interact. energy: -0.037
local terms energy: -70.927788
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -16.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -184.904096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.904096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.904096 (E_RNA)
where:
Base-Base interactions energy: -109.238
where: short stacking energy: -65.388
Base-Backbone interact. energy: -0.038
local terms energy: -75.628201
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.301
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -19.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -172.210117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.210117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.210117 (E_RNA)
where:
Base-Base interactions energy: -107.079
where: short stacking energy: -49.904
Base-Backbone interact. energy: -0.661
local terms energy: -64.470243
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -11.205
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: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -160.793512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.793512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.793512 (E_RNA)
where:
Base-Base interactions energy: -84.096
where: short stacking energy: -47.009
Base-Backbone interact. energy: -0.498
local terms energy: -76.199447
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -13.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -145.535998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.535998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.535998 (E_RNA)
where:
Base-Base interactions energy: -79.579
where: short stacking energy: -39.355
Base-Backbone interact. energy: -1.445
local terms energy: -64.511340
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -13.742
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -96.688132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.688132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.688132 (E_RNA)
where:
Base-Base interactions energy: -38.897
where: short stacking energy: -38.429
Base-Backbone interact. energy: -0.272
local terms energy: -57.519537
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -9.537
flat angles P-C4'-P energy: -5.955
tors. eta vs tors. theta energy: -9.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -93.762573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.762573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.762573 (E_RNA)
where:
Base-Base interactions energy: -40.893
where: short stacking energy: -30.558
Base-Backbone interact. energy: -0.830
local terms energy: -52.039403
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -8.738
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: 0.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -84.308896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.308896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.308896 (E_RNA)
where:
Base-Base interactions energy: -30.573
where: short stacking energy: -30.537
Base-Backbone interact. energy: -0.916
local terms energy: -52.819027
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.288
flat angles P-C4'-P energy: -7.034
tors. eta vs tors. theta energy: -3.966
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: 9
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -74.680108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.680108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.680108 (E_RNA)
where:
Base-Base interactions energy: -25.755
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.355
local terms energy: -48.569998
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -10.245
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -210.629810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.629810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.629810 (E_RNA)
where:
Base-Base interactions energy: -123.793
where: short stacking energy: -74.415
Base-Backbone interact. energy: -0.191
local terms energy: -86.646723
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -19.210
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -11.941
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: 3
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -196.720076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.720076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.720076 (E_RNA)
where:
Base-Base interactions energy: -114.350
where: short stacking energy: -63.413
Base-Backbone interact. energy: -0.221
local terms energy: -82.149026
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -14.783
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: 41
Temperature: 1.000000
Total energy: -217.233344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.233344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.233344 (E_RNA)
where:
Base-Base interactions energy: -139.559
where: short stacking energy: -77.822
Base-Backbone interact. energy: -0.007
local terms energy: -77.666935
where:
bonds (distance) C4'-P energy: -13.420
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -19.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -176.707275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.707275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.707275 (E_RNA)
where:
Base-Base interactions energy: -107.281
where: short stacking energy: -61.846
Base-Backbone interact. energy: -0.010
local terms energy: -69.416226
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -14.792
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -15.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -191.970153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.970153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.970153 (E_RNA)
where:
Base-Base interactions energy: -116.303
where: short stacking energy: -57.228
Base-Backbone interact. energy: -0.105
local terms energy: -75.562914
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -18.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -111.144700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.144700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.144700 (E_RNA)
where:
Base-Base interactions energy: -51.088
where: short stacking energy: -32.972
Base-Backbone interact. energy: -0.253
local terms energy: -59.804131
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -10.458
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -5.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -90.868508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.868508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.868508 (E_RNA)
where:
Base-Base interactions energy: -38.624
where: short stacking energy: -33.993
Base-Backbone interact. energy: -0.416
local terms energy: -51.828756
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -9.976
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -4.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -85.368692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.368692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.368692 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -32.088
Base-Backbone interact. energy: -0.078
local terms energy: -53.202003
where:
bonds (distance) C4'-P energy: -8.801
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -12.151
tors. eta vs tors. theta energy: -2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -99.974337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.974337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.974337 (E_RNA)
where:
Base-Base interactions energy: -40.418
where: short stacking energy: -22.331
Base-Backbone interact. energy: 0.203
local terms energy: -59.759626
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -6.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -82.220494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.220494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.220494 (E_RNA)
where:
Base-Base interactions energy: -37.305
where: short stacking energy: -29.414
Base-Backbone interact. energy: -0.359
local terms energy: -44.555680
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -12.148
flat angles C4'-P-C4' energy: -9.495
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: 3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -204.631991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.631991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.631991 (E_RNA)
where:
Base-Base interactions energy: -122.830
where: short stacking energy: -75.878
Base-Backbone interact. energy: -0.007
local terms energy: -81.795472
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -18.864
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -9.235
tors. eta vs tors. theta energy: -19.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -204.682656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.682656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.682656 (E_RNA)
where:
Base-Base interactions energy: -131.350
where: short stacking energy: -55.595
Base-Backbone interact. energy: -0.009
local terms energy: -73.323899
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -17.506
flat angles C4'-P-C4' energy: -13.341
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -204.810946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.810946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.810946 (E_RNA)
where:
Base-Base interactions energy: -133.736
where: short stacking energy: -60.041
Base-Backbone interact. energy: -0.725
local terms energy: -70.350058
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.083
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -14.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -203.267713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.267713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.267713 (E_RNA)
where:
Base-Base interactions energy: -119.438
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.008
local terms energy: -83.822025
where:
bonds (distance) C4'-P energy: -17.632
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -185.754026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.754026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.754026 (E_RNA)
where:
Base-Base interactions energy: -115.730
where: short stacking energy: -61.282
Base-Backbone interact. energy: -0.070
local terms energy: -69.954237
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -6.783
tors. eta vs tors. theta energy: -18.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -123.765948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.765948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.765948 (E_RNA)
where:
Base-Base interactions energy: -58.368
where: short stacking energy: -58.368
Base-Backbone interact. energy: -0.050
local terms energy: -65.348533
where:
bonds (distance) C4'-P energy: -12.088
bonds (distance) P-C4' energy: -12.577
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -14.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -103.391580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.391580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.391580 (E_RNA)
where:
Base-Base interactions energy: -38.685
where: short stacking energy: -38.685
Base-Backbone interact. energy: -0.155
local terms energy: -64.551199
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -14.656
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -98.392986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.392986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.392986 (E_RNA)
where:
Base-Base interactions energy: -39.770
where: short stacking energy: -36.323
Base-Backbone interact. energy: -0.403
local terms energy: -58.220351
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -13.959
flat angles P-C4'-P energy: -11.164
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: 9
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -96.312797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.312797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.312797 (E_RNA)
where:
Base-Base interactions energy: -45.651
where: short stacking energy: -40.680
Base-Backbone interact. energy: -0.061
local terms energy: -50.601583
where:
bonds (distance) C4'-P energy: -9.736
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -15.778
flat angles P-C4'-P energy: -6.749
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -85.024518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.024518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.024518 (E_RNA)
where:
Base-Base interactions energy: -37.174
where: short stacking energy: -37.174
Base-Backbone interact. energy: -0.199
local terms energy: -47.652333
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: 4.586
tors. eta vs tors. theta energy: -7.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -211.682912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.682912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.682912 (E_RNA)
where:
Base-Base interactions energy: -131.497
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.285
local terms energy: -79.901308
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -221.825942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.825942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.825942 (E_RNA)
where:
Base-Base interactions energy: -152.691
where: short stacking energy: -71.122
Base-Backbone interact. energy: -0.069
local terms energy: -69.066468
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -5.908
tors. eta vs tors. theta energy: -14.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -212.205530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.205530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.205530 (E_RNA)
where:
Base-Base interactions energy: -134.039
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.311
local terms energy: -77.855192
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -188.103626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.103626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.103626 (E_RNA)
where:
Base-Base interactions energy: -123.441
where: short stacking energy: -54.347
Base-Backbone interact. energy: -0.008
local terms energy: -64.654104
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -3.665
tors. eta vs tors. theta energy: -13.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -172.279369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.279369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.279369 (E_RNA)
where:
Base-Base interactions energy: -105.420
where: short stacking energy: -53.374
Base-Backbone interact. energy: -0.096
local terms energy: -66.763646
where:
bonds (distance) C4'-P energy: -19.317
bonds (distance) P-C4' energy: -11.035
flat angles C4'-P-C4' energy: -12.741
flat angles P-C4'-P energy: -8.886
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: 6, replica: 4
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -112.353785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.353785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.353785 (E_RNA)
where:
Base-Base interactions energy: -51.655
where: short stacking energy: -33.482
Base-Backbone interact. energy: -0.163
local terms energy: -60.536409
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -4.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -96.722228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.722228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.722228 (E_RNA)
where:
Base-Base interactions energy: -34.622
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.150
local terms energy: -61.950221
where:
bonds (distance) C4'-P energy: -18.586
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -7.739
tors. eta vs tors. theta energy: -6.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -87.266604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.266604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.266604 (E_RNA)
where:
Base-Base interactions energy: -32.117
where: short stacking energy: -28.654
Base-Backbone interact. energy: -0.145
local terms energy: -55.005052
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -10.260
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: 9, replica: 8
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -85.933504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.933504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.933504 (E_RNA)
where:
Base-Base interactions energy: -29.257
where: short stacking energy: -24.563
Base-Backbone interact. energy: -0.270
local terms energy: -56.406263
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -7.631
tors. eta vs tors. theta energy: 0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -104.135171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.135171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.135171 (E_RNA)
where:
Base-Base interactions energy: -47.680
where: short stacking energy: -47.602
Base-Backbone interact. energy: -0.035
local terms energy: -56.419740
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -8.542
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -7.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -231.585046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.585046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.585046 (E_RNA)
where:
Base-Base interactions energy: -156.192
where: short stacking energy: -74.111
Base-Backbone interact. energy: -0.080
local terms energy: -75.313065
where:
bonds (distance) C4'-P energy: -16.683
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -12.909
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: 2, replica: 3
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -192.059953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.059953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.059953 (E_RNA)
where:
Base-Base interactions energy: -113.986
where: short stacking energy: -65.822
Base-Backbone interact. energy: -0.001
local terms energy: -78.072052
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -17.596
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -16.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -205.482371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.482371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.482371 (E_RNA)
where:
Base-Base interactions energy: -129.140
where: short stacking energy: -62.101
Base-Backbone interact. energy: -0.865
local terms energy: -75.477598
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -19.257
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -14.050
tors. eta vs tors. theta energy: -13.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -204.501105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.501105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.501105 (E_RNA)
where:
Base-Base interactions energy: -126.329
where: short stacking energy: -58.978
Base-Backbone interact. energy: -0.112
local terms energy: -78.059914
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -17.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -175.942921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.942921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.942921 (E_RNA)
where:
Base-Base interactions energy: -99.517
where: short stacking energy: -53.027
Base-Backbone interact. energy: -0.192
local terms energy: -76.233821
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -11.178
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: 6, replica: 4
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -103.240772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.240772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.240772 (E_RNA)
where:
Base-Base interactions energy: -43.173
where: short stacking energy: -34.947
Base-Backbone interact. energy: -0.896
local terms energy: -59.170942
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -12.690
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -5.525
tors. eta vs tors. theta energy: -6.318
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: 9
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -92.469110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469110 (E_RNA)
where:
Base-Base interactions energy: -42.963
where: short stacking energy: -25.919
Base-Backbone interact. energy: -0.407
local terms energy: -49.098802
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -14.320
flat angles P-C4'-P energy: -5.455
tors. eta vs tors. theta energy: 0.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -96.249861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.249861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.249861 (E_RNA)
where:
Base-Base interactions energy: -36.584
where: short stacking energy: -36.584
Base-Backbone interact. energy: -0.127
local terms energy: -59.539266
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -13.857
flat angles C4'-P-C4' energy: -11.694
flat angles P-C4'-P energy: -8.976
tors. eta vs tors. theta energy: -9.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -90.339307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.339307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.339307 (E_RNA)
where:
Base-Base interactions energy: -32.865
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.155
local terms energy: -57.318965
where:
bonds (distance) C4'-P energy: -8.699
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -13.199
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -9.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -99.616825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.616825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.616825 (E_RNA)
where:
Base-Base interactions energy: -50.961
where: short stacking energy: -28.222
Base-Backbone interact. energy: -0.249
local terms energy: -48.406520
where:
bonds (distance) C4'-P energy: -16.650
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -9.306
flat angles P-C4'-P energy: -6.403
tors. eta vs tors. theta energy: -1.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -223.594256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.594256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.594256 (E_RNA)
where:
Base-Base interactions energy: -145.038
where: short stacking energy: -68.233
Base-Backbone interact. energy: -0.007
local terms energy: -78.548714
where:
bonds (distance) C4'-P energy: -15.299
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -212.553373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.553373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.553373 (E_RNA)
where:
Base-Base interactions energy: -129.638
where: short stacking energy: -75.618
Base-Backbone interact. energy: -0.066
local terms energy: -82.849371
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -19.490
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -17.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -197.481984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.481984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.481984 (E_RNA)
where:
Base-Base interactions energy: -130.119
where: short stacking energy: -60.521
Base-Backbone interact. energy: -0.019
local terms energy: -67.343349
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -13.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -189.477968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.477968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.477968 (E_RNA)
where:
Base-Base interactions energy: -115.658
where: short stacking energy: -50.265
Base-Backbone interact. energy: -0.907
local terms energy: -72.913517
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -14.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -175.880666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.880666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.880666 (E_RNA)
where:
Base-Base interactions energy: -110.687
where: short stacking energy: -51.071
Base-Backbone interact. energy: -1.101
local terms energy: -64.092576
where:
bonds (distance) C4'-P energy: -10.375
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -9.372
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: 6, replica: 9
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -99.411415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.411415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.411415 (E_RNA)
where:
Base-Base interactions energy: -38.438
where: short stacking energy: -28.831
Base-Backbone interact. energy: -1.373
local terms energy: -59.600350
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -5.821
tors. eta vs tors. theta energy: -0.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -99.980606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.980606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.980606 (E_RNA)
where:
Base-Base interactions energy: -35.505
where: short stacking energy: -35.505
Base-Backbone interact. energy: -0.095
local terms energy: -64.380401
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -97.589271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.589271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.589271 (E_RNA)
where:
Base-Base interactions energy: -46.043
where: short stacking energy: -45.633
Base-Backbone interact. energy: -0.207
local terms energy: -51.339303
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -5.915
tors. eta vs tors. theta energy: -6.068
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: 10
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -159.500191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.500191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.500191 (E_RNA)
where:
Base-Base interactions energy: -99.630
where: short stacking energy: -39.308
Base-Backbone interact. energy: -0.740
local terms energy: -59.129867
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -11.536
flat angles P-C4'-P energy: -6.978
tors. eta vs tors. theta energy: -11.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -79.432753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.432753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.432753 (E_RNA)
where:
Base-Base interactions energy: -24.189
where: short stacking energy: -24.189
Base-Backbone interact. energy: -0.204
local terms energy: -55.039130
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -18.264
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: 1.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -223.951359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.951359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.951359 (E_RNA)
where:
Base-Base interactions energy: -145.254
where: short stacking energy: -70.726
Base-Backbone interact. energy: -0.043
local terms energy: -78.653683
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -16.497
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: 46
Temperature: 0.950000
Total energy: -217.817281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.817281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.817281 (E_RNA)
where:
Base-Base interactions energy: -132.662
where: short stacking energy: -71.235
Base-Backbone interact. energy: -0.686
local terms energy: -84.469561
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -22.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -184.423225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.423225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.423225 (E_RNA)
where:
Base-Base interactions energy: -114.309
where: short stacking energy: -53.142
Base-Backbone interact. energy: -0.045
local terms energy: -70.069236
where:
bonds (distance) C4'-P energy: -12.505
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -17.934
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -13.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -193.570361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.570361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.570361 (E_RNA)
where:
Base-Base interactions energy: -125.442
where: short stacking energy: -56.290
Base-Backbone interact. energy: -0.251
local terms energy: -67.877442
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -10.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -184.481074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.481074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.481074 (E_RNA)
where:
Base-Base interactions energy: -122.267
where: short stacking energy: -67.557
Base-Backbone interact. energy: 0.083
local terms energy: -62.297511
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -16.429
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -3.897
tors. eta vs tors. theta energy: -15.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -111.741753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.741753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.741753 (E_RNA)
where:
Base-Base interactions energy: -57.805
where: short stacking energy: -21.600
Base-Backbone interact. energy: -0.195
local terms energy: -53.741163
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: 0.265
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: 7, replica: 5
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -107.496986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.496986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.496986 (E_RNA)
where:
Base-Base interactions energy: -53.315
where: short stacking energy: -32.098
Base-Backbone interact. energy: -0.769
local terms energy: -53.413134
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -13.687
flat angles C4'-P-C4' energy: -10.064
flat angles P-C4'-P energy: -11.797
tors. eta vs tors. theta energy: -4.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -98.642088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.642088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.642088 (E_RNA)
where:
Base-Base interactions energy: -64.568
where: short stacking energy: -37.292
Base-Backbone interact. energy: 0.156
local terms energy: -34.230217
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -7.064
flat angles C4'-P-C4' energy: -2.941
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -1.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -121.238141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.238141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.238141 (E_RNA)
where:
Base-Base interactions energy: -61.444
where: short stacking energy: -39.097
Base-Backbone interact. energy: 0.309
local terms energy: -60.103627
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -14.270
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -3.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -90.327877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.327877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.327877 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -29.713
Base-Backbone interact. energy: -0.533
local terms energy: -55.964032
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -10.418
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -229.412703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.412703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.412703 (E_RNA)
where:
Base-Base interactions energy: -153.265
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.016
local terms energy: -76.131689
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -17.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -212.041899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.041899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.041899 (E_RNA)
where:
Base-Base interactions energy: -131.298
where: short stacking energy: -62.753
Base-Backbone interact. energy: -0.006
local terms energy: -80.738103
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -19.568
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -19.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -183.992685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.992685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.992685 (E_RNA)
where:
Base-Base interactions energy: -113.635
where: short stacking energy: -63.502
Base-Backbone interact. energy: -0.374
local terms energy: -69.983123
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -12.588
flat angles C4'-P-C4' energy: -15.035
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -13.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -183.850405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.850405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.850405 (E_RNA)
where:
Base-Base interactions energy: -113.119
where: short stacking energy: -61.964
Base-Backbone interact. energy: -0.101
local terms energy: -70.631066
where:
bonds (distance) C4'-P energy: -12.978
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -13.858
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: 3
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -167.402924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.402924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.402924 (E_RNA)
where:
Base-Base interactions energy: -95.129
where: short stacking energy: -59.873
Base-Backbone interact. energy: -0.006
local terms energy: -72.267540
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -14.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -102.124322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.124322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.124322 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -34.917
Base-Backbone interact. energy: -0.589
local terms energy: -59.889921
where:
bonds (distance) C4'-P energy: -17.176
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -9.829
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: 7, replica: 9
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -93.451758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.451758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.451758 (E_RNA)
where:
Base-Base interactions energy: -39.266
where: short stacking energy: -39.266
Base-Backbone interact. energy: 1.710
local terms energy: -55.895893
where:
bonds (distance) C4'-P energy: -10.438
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -86.249671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.249671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.249671 (E_RNA)
where:
Base-Base interactions energy: -30.805
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.613
local terms energy: -54.831329
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -12.037
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -92.711158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.711158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.711158 (E_RNA)
where:
Base-Base interactions energy: -36.969
where: short stacking energy: -36.969
Base-Backbone interact. energy: -0.289
local terms energy: -55.452288
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -17.036
flat angles P-C4'-P energy: -3.593
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: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -83.862365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.862365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.862365 (E_RNA)
where:
Base-Base interactions energy: -30.793
where: short stacking energy: -29.472
Base-Backbone interact. energy: -0.926
local terms energy: -52.143839
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -11.862
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -0.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -222.453011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.453011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.453011 (E_RNA)
where:
Base-Base interactions energy: -141.873
where: short stacking energy: -64.840
Base-Backbone interact. energy: -0.033
local terms energy: -80.547607
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -8.449
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -219.645879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.645879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.645879 (E_RNA)
where:
Base-Base interactions energy: -141.495
where: short stacking energy: -72.704
Base-Backbone interact. energy: -0.169
local terms energy: -77.981958
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -17.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -201.769057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.769057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.769057 (E_RNA)
where:
Base-Base interactions energy: -126.519
where: short stacking energy: -78.089
Base-Backbone interact. energy: 0.534
local terms energy: -75.783280
where:
bonds (distance) C4'-P energy: -10.785
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -18.694
flat angles P-C4'-P energy: -11.193
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -199.021385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.021385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.021385 (E_RNA)
where:
Base-Base interactions energy: -130.088
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.019
local terms energy: -68.914595
where:
bonds (distance) C4'-P energy: -11.752
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -109.522134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.522134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.522134 (E_RNA)
where:
Base-Base interactions energy: -59.440
where: short stacking energy: -43.810
Base-Backbone interact. energy: -0.147
local terms energy: -49.935264
where:
bonds (distance) C4'-P energy: -12.933
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -2.074
tors. eta vs tors. theta energy: -6.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -145.709579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.709579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.709579 (E_RNA)
where:
Base-Base interactions energy: -88.109
where: short stacking energy: -51.351
Base-Backbone interact. energy: -1.160
local terms energy: -56.440297
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -3.999
tors. eta vs tors. theta energy: -9.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -112.124695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.124695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.124695 (E_RNA)
where:
Base-Base interactions energy: -50.352
where: short stacking energy: -47.053
Base-Backbone interact. energy: -0.048
local terms energy: -61.724669
where:
bonds (distance) C4'-P energy: -10.119
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -92.914839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.914839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.914839 (E_RNA)
where:
Base-Base interactions energy: -31.071
where: short stacking energy: -29.817
Base-Backbone interact. energy: -0.372
local terms energy: -61.470981
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -16.041
flat angles C4'-P-C4' energy: -10.092
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -6.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -85.765119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765119 (E_RNA)
where:
Base-Base interactions energy: -28.788
where: short stacking energy: -28.788
Base-Backbone interact. energy: -0.167
local terms energy: -56.809350
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.074
flat angles P-C4'-P energy: -2.739
tors. eta vs tors. theta energy: -4.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -79.135031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.135031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.135031 (E_RNA)
where:
Base-Base interactions energy: -28.504
where: short stacking energy: -26.236
Base-Backbone interact. energy: -0.277
local terms energy: -50.354027
where:
bonds (distance) C4'-P energy: -11.483
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -6.389
flat angles P-C4'-P energy: -12.971
tors. eta vs tors. theta energy: -2.415
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: 1, replica: 2
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -225.763232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.763232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.763232 (E_RNA)
where:
Base-Base interactions energy: -144.287
where: short stacking energy: -67.861
Base-Backbone interact. energy: -0.069
local terms energy: -81.407543
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.656
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.585
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -213.678233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.678233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.678233 (E_RNA)
where:
Base-Base interactions energy: -142.841
where: short stacking energy: -74.669
Base-Backbone interact. energy: -0.007
local terms energy: -70.829614
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.621
flat angles P-C4'-P energy: -6.375
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: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -197.304868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.304868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.304868 (E_RNA)
where:
Base-Base interactions energy: -119.413
where: short stacking energy: -61.394
Base-Backbone interact. energy: -0.106
local terms energy: -77.786421
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -201.352204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.352204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.352204 (E_RNA)
where:
Base-Base interactions energy: -126.707
where: short stacking energy: -57.065
Base-Backbone interact. energy: -0.030
local terms energy: -74.615639
where:
bonds (distance) C4'-P energy: -10.982
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -14.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -109.896764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.896764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.896764 (E_RNA)
where:
Base-Base interactions energy: -49.404
where: short stacking energy: -41.194
Base-Backbone interact. energy: 0.819
local terms energy: -61.311093
where:
bonds (distance) C4'-P energy: -14.915
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -8.804
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: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -164.566180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.566180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.566180 (E_RNA)
where:
Base-Base interactions energy: -95.379
where: short stacking energy: -60.798
Base-Backbone interact. energy: -0.044
local terms energy: -69.142746
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -18.965
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -5.510
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: 7, replica: 10
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -94.756235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.756235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.756235 (E_RNA)
where:
Base-Base interactions energy: -37.651
where: short stacking energy: -37.651
Base-Backbone interact. energy: 0.361
local terms energy: -57.467160
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -3.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -97.874365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.874365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.874365 (E_RNA)
where:
Base-Base interactions energy: -45.267
where: short stacking energy: -32.732
Base-Backbone interact. energy: -0.181
local terms energy: -52.426564
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -6.005
flat angles P-C4'-P energy: -4.178
tors. eta vs tors. theta energy: -8.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -89.722839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.722839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.722839 (E_RNA)
where:
Base-Base interactions energy: -36.590
where: short stacking energy: -31.351
Base-Backbone interact. energy: -0.124
local terms energy: -53.008411
where:
bonds (distance) C4'-P energy: -11.409
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -1.242
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: 49
Temperature: 1.350000
Total energy: -83.295691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.295691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.295691 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -26.965
Base-Backbone interact. energy: -0.073
local terms energy: -49.121864
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -2.455
tors. eta vs tors. theta energy: 1.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -213.471766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.471766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.471766 (E_RNA)
where:
Base-Base interactions energy: -131.053
where: short stacking energy: -71.621
Base-Backbone interact. energy: -0.058
local terms energy: -82.360484
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -216.017337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.017337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.017337 (E_RNA)
where:
Base-Base interactions energy: -136.295
where: short stacking energy: -69.264
Base-Backbone interact. energy: -0.027
local terms energy: -79.695188
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -14.313
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -204.947143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.947143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.947143 (E_RNA)
where:
Base-Base interactions energy: -130.013
where: short stacking energy: -54.480
Base-Backbone interact. energy: -0.686
local terms energy: -74.247576
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -13.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -206.735190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.735190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.735190 (E_RNA)
where:
Base-Base interactions energy: -126.707
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.443
local terms energy: -79.585644
where:
bonds (distance) C4'-P energy: -16.369
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -9.508
tors. eta vs tors. theta energy: -19.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -175.721369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.721369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.721369 (E_RNA)
where:
Base-Base interactions energy: -115.993
where: short stacking energy: -49.621
Base-Backbone interact. energy: -0.377
local terms energy: -59.351188
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: 0.425
tors. eta vs tors. theta energy: -13.214
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: 5
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -97.663043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.663043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.663043 (E_RNA)
where:
Base-Base interactions energy: -47.356
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.869
local terms energy: -49.438048
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -12.121
flat angles P-C4'-P energy: -5.583
tors. eta vs tors. theta energy: -1.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -99.953338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.953338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.953338 (E_RNA)
where:
Base-Base interactions energy: -35.616
where: short stacking energy: -32.470
Base-Backbone interact. energy: -0.177
local terms energy: -64.159794
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -8.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -85.239226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.239226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.239226 (E_RNA)
where:
Base-Base interactions energy: -43.820
where: short stacking energy: -33.324
Base-Backbone interact. energy: 5.661
local terms energy: -47.080379
where:
bonds (distance) C4'-P energy: -7.870
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -12.125
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -2.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -94.198561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.198561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.198561 (E_RNA)
where:
Base-Base interactions energy: -31.263
where: short stacking energy: -29.979
Base-Backbone interact. energy: -1.109
local terms energy: -61.826612
where:
bonds (distance) C4'-P energy: -8.730
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -14.910
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -7.648
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: 50
Temperature: 1.350000
Total energy: -84.555238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.555238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.555238 (E_RNA)
where:
Base-Base interactions energy: -35.691
where: short stacking energy: -31.825
Base-Backbone interact. energy: -0.168
local terms energy: -48.696315
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -11.380
flat angles C4'-P-C4' energy: -12.789
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -4.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -217.801531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.801531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.801531 (E_RNA)
where:
Base-Base interactions energy: -135.875
where: short stacking energy: -75.431
Base-Backbone interact. energy: -0.210
local terms energy: -81.716301
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -22.207
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: 1
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -204.070625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.070625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.070625 (E_RNA)
where:
Base-Base interactions energy: -132.727
where: short stacking energy: -54.389
Base-Backbone interact. energy: -1.408
local terms energy: -69.936178
where:
bonds (distance) C4'-P energy: -11.875
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -14.490
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: 3, replica: 6
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -210.032872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.032872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.032872 (E_RNA)
where:
Base-Base interactions energy: -136.810
where: short stacking energy: -63.139
Base-Backbone interact. energy: -0.034
local terms energy: -73.189059
where:
bonds (distance) C4'-P energy: -12.574
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.879
tors. eta vs tors. theta energy: -15.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -209.169197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.169197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.169197 (E_RNA)
where:
Base-Base interactions energy: -128.174
where: short stacking energy: -69.370
Base-Backbone interact. energy: -0.103
local terms energy: -80.892169
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -154.949695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.949695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.949695 (E_RNA)
where:
Base-Base interactions energy: -84.730
where: short stacking energy: -43.019
Base-Backbone interact. energy: 0.343
local terms energy: -70.562980
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -13.063
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -10.597
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: 9
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -117.067978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.067978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.067978 (E_RNA)
where:
Base-Base interactions energy: -51.925
where: short stacking energy: -32.924
Base-Backbone interact. energy: -1.789
local terms energy: -63.354453
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -8.966
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: 7, replica: 5
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -105.204454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.204454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.204454 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.056
local terms energy: -67.841972
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -98.335053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.335053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.335053 (E_RNA)
where:
Base-Base interactions energy: -42.009
where: short stacking energy: -35.931
Base-Backbone interact. energy: -0.717
local terms energy: -55.609033
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -8.352
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -5.221
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: 10
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -99.775065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.775065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.775065 (E_RNA)
where:
Base-Base interactions energy: -38.074
where: short stacking energy: -38.074
Base-Backbone interact. energy: 2.198
local terms energy: -63.898727
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -6.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -76.131209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.131209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.131209 (E_RNA)
where:
Base-Base interactions energy: -23.522
where: short stacking energy: -16.406
Base-Backbone interact. energy: -0.189
local terms energy: -52.420667
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -10.492
flat angles P-C4'-P energy: -5.676
tors. eta vs tors. theta energy: -3.674
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: 1
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -208.483516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.483516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.483516 (E_RNA)
where:
Base-Base interactions energy: -132.361
where: short stacking energy: -61.686
Base-Backbone interact. energy: -0.005
local terms energy: -76.117910
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -8.161
tors. eta vs tors. theta energy: -15.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -217.111889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.111889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.111889 (E_RNA)
where:
Base-Base interactions energy: -134.286
where: short stacking energy: -69.122
Base-Backbone interact. energy: 0.336
local terms energy: -83.161843
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -199.940949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.940949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.940949 (E_RNA)
where:
Base-Base interactions energy: -116.926
where: short stacking energy: -74.341
Base-Backbone interact. energy: -0.014
local terms energy: -83.000648
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -13.072
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: 4, replica: 7
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -191.468158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.468158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.468158 (E_RNA)
where:
Base-Base interactions energy: -124.092
where: short stacking energy: -66.205
Base-Backbone interact. energy: -0.454
local terms energy: -66.922405
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -5.136
tors. eta vs tors. theta energy: -15.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -162.453428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.453428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.453428 (E_RNA)
where:
Base-Base interactions energy: -95.286
where: short stacking energy: -60.920
Base-Backbone interact. energy: -0.165
local terms energy: -67.002306
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -14.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -120.873216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.873216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.873216 (E_RNA)
where:
Base-Base interactions energy: -62.590
where: short stacking energy: -36.596
Base-Backbone interact. energy: 0.763
local terms energy: -59.046114
where:
bonds (distance) C4'-P energy: -12.043
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -11.788
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -105.664818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.664818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.664818 (E_RNA)
where:
Base-Base interactions energy: -46.251
where: short stacking energy: -36.790
Base-Backbone interact. energy: -0.156
local terms energy: -59.258085
where:
bonds (distance) C4'-P energy: -13.522
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -7.993
tors. eta vs tors. theta energy: -8.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -151.196225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.196225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.196225 (E_RNA)
where:
Base-Base interactions energy: -91.672
where: short stacking energy: -44.770
Base-Backbone interact. energy: -0.110
local terms energy: -59.414126
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -7.673
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -91.819882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.819882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.819882 (E_RNA)
where:
Base-Base interactions energy: -53.036
where: short stacking energy: -17.860
Base-Backbone interact. energy: -1.052
local terms energy: -37.732510
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -9.194
flat angles C4'-P-C4' energy: -10.041
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: 6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -128.574942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.574942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.574942 (E_RNA)
where:
Base-Base interactions energy: -80.397
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.178
local terms energy: -48.000672
where:
bonds (distance) C4'-P energy: -4.789
bonds (distance) P-C4' energy: -9.503
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -5.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -213.338797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.338797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.338797 (E_RNA)
where:
Base-Base interactions energy: -136.464
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.048
local terms energy: -76.826297
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -12.851
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: 6
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -208.511148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.511148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.511148 (E_RNA)
where:
Base-Base interactions energy: -126.531
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.001
local terms energy: -81.979717
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -20.067
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: 3, replica: 2
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -207.804202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.804202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.804202 (E_RNA)
where:
Base-Base interactions energy: -132.827
where: short stacking energy: -69.218
Base-Backbone interact. energy: -0.009
local terms energy: -74.968564
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -17.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -170.686697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.686697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.686697 (E_RNA)
where:
Base-Base interactions energy: -95.766
where: short stacking energy: -56.343
Base-Backbone interact. energy: 0.633
local terms energy: -75.553512
where:
bonds (distance) C4'-P energy: -15.251
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -8.877
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: 5, replica: 7
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -192.833700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.833700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.833700 (E_RNA)
where:
Base-Base interactions energy: -122.248
where: short stacking energy: -67.378
Base-Backbone interact. energy: -0.464
local terms energy: -70.122011
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -102.132037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.132037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.132037 (E_RNA)
where:
Base-Base interactions energy: -40.898
where: short stacking energy: -30.174
Base-Backbone interact. energy: -0.364
local terms energy: -60.869737
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -16.573
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -1.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -86.135037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.135037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.135037 (E_RNA)
where:
Base-Base interactions energy: -33.078
where: short stacking energy: -29.288
Base-Backbone interact. energy: -0.065
local terms energy: -52.991566
where:
bonds (distance) C4'-P energy: -14.268
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -5.085
flat angles P-C4'-P energy: -10.848
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -99.207910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.207910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.207910 (E_RNA)
where:
Base-Base interactions energy: -50.361
where: short stacking energy: -48.562
Base-Backbone interact. energy: -0.088
local terms energy: -48.759224
where:
bonds (distance) C4'-P energy: -11.621
bonds (distance) P-C4' energy: -8.809
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -150.488475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.488475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.488475 (E_RNA)
where:
Base-Base interactions energy: -85.539
where: short stacking energy: -38.903
Base-Backbone interact. energy: -0.424
local terms energy: -64.525080
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -9.294
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: 10, replica: 10
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -83.243428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.243428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.243428 (E_RNA)
where:
Base-Base interactions energy: -26.725
where: short stacking energy: -28.725
Base-Backbone interact. energy: -0.262
local terms energy: -56.256698
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -5.784
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -220.718402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.718402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.718402 (E_RNA)
where:
Base-Base interactions energy: -138.695
where: short stacking energy: -70.628
Base-Backbone interact. energy: -0.005
local terms energy: -82.018792
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -14.613
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -19.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -221.460706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.460706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.460706 (E_RNA)
where:
Base-Base interactions energy: -139.702
where: short stacking energy: -71.027
Base-Backbone interact. energy: 1.854
local terms energy: -83.612523
where:
bonds (distance) C4'-P energy: -15.892
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -19.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -221.831818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.831818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.831818 (E_RNA)
where:
Base-Base interactions energy: -142.801
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.000
local terms energy: -79.030208
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -19.525
flat angles C4'-P-C4' energy: -10.999
flat angles P-C4'-P energy: -12.467
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: 4, replica: 3
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -172.034353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.034353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.034353 (E_RNA)
where:
Base-Base interactions energy: -105.250
where: short stacking energy: -53.013
Base-Backbone interact. energy: -0.012
local terms energy: -66.772209
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -7.269
tors. eta vs tors. theta energy: -10.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -173.862863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.862863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.862863 (E_RNA)
where:
Base-Base interactions energy: -101.082
where: short stacking energy: -47.460
Base-Backbone interact. energy: -0.007
local terms energy: -72.773936
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -11.611
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: 6, replica: 9
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -113.337395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.337395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.337395 (E_RNA)
where:
Base-Base interactions energy: -47.683
where: short stacking energy: -36.588
Base-Backbone interact. energy: -0.068
local terms energy: -65.585959
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.620
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: 7, replica: 8
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -115.350983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.350983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.350983 (E_RNA)
where:
Base-Base interactions energy: -48.259
where: short stacking energy: -48.259
Base-Backbone interact. energy: -0.125
local terms energy: -66.966208
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -13.408
flat angles C4'-P-C4' energy: -13.194
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -14.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -99.009549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.009549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.009549 (E_RNA)
where:
Base-Base interactions energy: -51.440
where: short stacking energy: -36.027
Base-Backbone interact. energy: -1.489
local terms energy: -46.080914
where:
bonds (distance) C4'-P energy: -15.896
bonds (distance) P-C4' energy: -10.187
flat angles C4'-P-C4' energy: -11.938
flat angles P-C4'-P energy: -5.772
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -140.280760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.280760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.280760 (E_RNA)
where:
Base-Base interactions energy: -83.539
where: short stacking energy: -31.241
Base-Backbone interact. energy: 2.173
local terms energy: -58.914263
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -13.211
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -9.770
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: 10
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -75.061493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.061493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.061493 (E_RNA)
where:
Base-Base interactions energy: -25.538
where: short stacking energy: -19.446
Base-Backbone interact. energy: -0.455
local terms energy: -49.068897
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -13.102
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: 0.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -228.959058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.959058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.959058 (E_RNA)
where:
Base-Base interactions energy: -149.084
where: short stacking energy: -55.283
Base-Backbone interact. energy: -0.027
local terms energy: -79.848305
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -13.574
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -16.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -221.637431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.637431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.637431 (E_RNA)
where:
Base-Base interactions energy: -145.372
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.009
local terms energy: -76.255686
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -16.341
flat angles C4'-P-C4' energy: -13.325
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -214.478990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.478990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.478990 (E_RNA)
where:
Base-Base interactions energy: -141.115
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.240
local terms energy: -73.124237
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -12.535
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -181.265021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.265021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.265021 (E_RNA)
where:
Base-Base interactions energy: -111.260
where: short stacking energy: -61.596
Base-Backbone interact. energy: -0.007
local terms energy: -69.997963
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -14.082
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.483
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: 3
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -166.882032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.882032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.882032 (E_RNA)
where:
Base-Base interactions energy: -100.428
where: short stacking energy: -54.705
Base-Backbone interact. energy: -0.677
local terms energy: -65.777128
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -11.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -111.581562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.581562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.581562 (E_RNA)
where:
Base-Base interactions energy: -54.941
where: short stacking energy: -37.647
Base-Backbone interact. energy: -0.059
local terms energy: -56.582328
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -14.181
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -5.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -90.723728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.723728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.723728 (E_RNA)
where:
Base-Base interactions energy: -33.205
where: short stacking energy: -27.230
Base-Backbone interact. energy: 0.216
local terms energy: -57.734401
where:
bonds (distance) C4'-P energy: -12.490
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -12.141
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -5.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -165.586261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.586261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.586261 (E_RNA)
where:
Base-Base interactions energy: -94.344
where: short stacking energy: -46.965
Base-Backbone interact. energy: -0.438
local terms energy: -70.804515
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -8.059
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: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -94.213172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.213172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.213172 (E_RNA)
where:
Base-Base interactions energy: -44.662
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.170
local terms energy: -49.381365
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -11.272
flat angles P-C4'-P energy: -6.060
tors. eta vs tors. theta energy: -3.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -80.612810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.612810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.612810 (E_RNA)
where:
Base-Base interactions energy: -34.660
where: short stacking energy: -25.634
Base-Backbone interact. energy: -0.381
local terms energy: -45.571808
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -12.685
flat angles C4'-P-C4' energy: -9.453
flat angles P-C4'-P energy: -7.347
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -229.391757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.391757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.391757 (E_RNA)
where:
Base-Base interactions energy: -147.944
where: short stacking energy: -73.507
Base-Backbone interact. energy: -0.259
local terms energy: -81.189174
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -18.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -228.113960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.113960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.113960 (E_RNA)
where:
Base-Base interactions energy: -150.192
where: short stacking energy: -65.185
Base-Backbone interact. energy: -0.250
local terms energy: -77.671847
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -204.834594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.834594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.834594 (E_RNA)
where:
Base-Base interactions energy: -121.672
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.156
local terms energy: -83.006613
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -16.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -214.681131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.681131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.681131 (E_RNA)
where:
Base-Base interactions energy: -141.350
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.333
local terms energy: -72.998226
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.945
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -17.135
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: 3
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -182.834100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.834100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.834100 (E_RNA)
where:
Base-Base interactions energy: -125.111
where: short stacking energy: -50.143
Base-Backbone interact. energy: -0.118
local terms energy: -57.604899
where:
bonds (distance) C4'-P energy: -12.999
bonds (distance) P-C4' energy: -12.868
flat angles C4'-P-C4' energy: -14.127
flat angles P-C4'-P energy: -5.399
tors. eta vs tors. theta energy: -12.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -108.667199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.667199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.667199 (E_RNA)
where:
Base-Base interactions energy: -62.685
where: short stacking energy: -51.193
Base-Backbone interact. energy: 3.730
local terms energy: -49.712672
where:
bonds (distance) C4'-P energy: -10.935
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -11.398
flat angles P-C4'-P energy: -8.093
tors. eta vs tors. theta energy: -8.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -149.969004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.969004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.969004 (E_RNA)
where:
Base-Base interactions energy: -92.863
where: short stacking energy: -59.108
Base-Backbone interact. energy: -0.265
local terms energy: -56.840858
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -8.665
tors. eta vs tors. theta energy: -8.769
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: 9
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -88.420703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.420703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.420703 (E_RNA)
where:
Base-Base interactions energy: -31.207
where: short stacking energy: -31.207
Base-Backbone interact. energy: -0.335
local terms energy: -56.878467
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -14.122
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -5.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -90.065364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.065364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.065364 (E_RNA)
where:
Base-Base interactions energy: -30.588
where: short stacking energy: -21.255
Base-Backbone interact. energy: 0.782
local terms energy: -60.259598
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -16.006
flat angles C4'-P-C4' energy: -12.241
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -77.727759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.727759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.727759 (E_RNA)
where:
Base-Base interactions energy: -29.938
where: short stacking energy: -25.543
Base-Backbone interact. energy: 0.836
local terms energy: -48.625172
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -5.831
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -221.527117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.527117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.527117 (E_RNA)
where:
Base-Base interactions energy: -143.875
where: short stacking energy: -66.606
Base-Backbone interact. energy: -0.015
local terms energy: -77.636817
where:
bonds (distance) C4'-P energy: -11.831
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -20.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -216.511486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.511486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.511486 (E_RNA)
where:
Base-Base interactions energy: -140.321
where: short stacking energy: -79.990
Base-Backbone interact. energy: -0.003
local terms energy: -76.187457
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -8.518
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: 2
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -211.189084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.189084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.189084 (E_RNA)
where:
Base-Base interactions energy: -139.086
where: short stacking energy: -66.177
Base-Backbone interact. energy: -0.362
local terms energy: -71.741309
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -10.985
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -12.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -195.358909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.358909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.358909 (E_RNA)
where:
Base-Base interactions energy: -122.977
where: short stacking energy: -61.702
Base-Backbone interact. energy: 0.353
local terms energy: -72.735739
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -12.699
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -11.134
tors. eta vs tors. theta energy: -19.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -174.111701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.111701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.111701 (E_RNA)
where:
Base-Base interactions energy: -106.860
where: short stacking energy: -57.981
Base-Backbone interact. energy: -0.715
local terms energy: -66.537117
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -14.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -162.373727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.373727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.373727 (E_RNA)
where:
Base-Base interactions energy: -95.140
where: short stacking energy: -40.772
Base-Backbone interact. energy: 0.258
local terms energy: -67.491823
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -9.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -90.064656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064656 (E_RNA)
where:
Base-Base interactions energy: -39.616
where: short stacking energy: -24.335
Base-Backbone interact. energy: -1.320
local terms energy: -49.129192
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -14.139
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: 4.827
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: 10
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -92.261261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.261261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.261261 (E_RNA)
where:
Base-Base interactions energy: -36.830
where: short stacking energy: -35.441
Base-Backbone interact. energy: -0.177
local terms energy: -55.253959
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.836
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: 3.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -85.125464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.125464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.125464 (E_RNA)
where:
Base-Base interactions energy: -25.245
where: short stacking energy: -24.587
Base-Backbone interact. energy: -0.204
local terms energy: -59.676956
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -19.808
flat angles C4'-P-C4' energy: -10.736
flat angles P-C4'-P energy: -9.752
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -94.379861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.379861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.379861 (E_RNA)
where:
Base-Base interactions energy: -41.554
where: short stacking energy: -35.581
Base-Backbone interact. energy: 0.676
local terms energy: -53.502209
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -6.651
tors. eta vs tors. theta energy: -3.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -222.936588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.936588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.936588 (E_RNA)
where:
Base-Base interactions energy: -143.300
where: short stacking energy: -69.903
Base-Backbone interact. energy: -0.015
local terms energy: -79.622168
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -19.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -210.868426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.868426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.868426 (E_RNA)
where:
Base-Base interactions energy: -131.878
where: short stacking energy: -76.542
Base-Backbone interact. energy: -0.038
local terms energy: -78.952339
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -16.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -210.261564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.261564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.261564 (E_RNA)
where:
Base-Base interactions energy: -137.415
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.399
local terms energy: -72.446737
where:
bonds (distance) C4'-P energy: -9.563
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -188.677468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.677468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.677468 (E_RNA)
where:
Base-Base interactions energy: -111.169
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.106
local terms energy: -77.402429
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -17.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -172.324527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.324527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.324527 (E_RNA)
where:
Base-Base interactions energy: -101.837
where: short stacking energy: -56.071
Base-Backbone interact. energy: -0.889
local terms energy: -69.598945
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.958
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -162.214114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.214114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.214114 (E_RNA)
where:
Base-Base interactions energy: -94.556
where: short stacking energy: -60.542
Base-Backbone interact. energy: -0.292
local terms energy: -67.365989
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -7.262
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: 7, replica: 10
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -120.563326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.563326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.563326 (E_RNA)
where:
Base-Base interactions energy: -67.492
where: short stacking energy: -52.877
Base-Backbone interact. energy: -0.200
local terms energy: -52.871382
where:
bonds (distance) C4'-P energy: -7.050
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -11.614
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: 58
Temperature: 1.250000
Total energy: -102.584821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.584821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.584821 (E_RNA)
where:
Base-Base interactions energy: -50.668
where: short stacking energy: -31.401
Base-Backbone interact. energy: -0.679
local terms energy: -51.238080
where:
bonds (distance) C4'-P energy: -12.138
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -5.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -90.198216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.198216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.198216 (E_RNA)
where:
Base-Base interactions energy: -46.217
where: short stacking energy: -34.560
Base-Backbone interact. energy: -0.132
local terms energy: -43.849384
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -13.561
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -79.939466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.939466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.939466 (E_RNA)
where:
Base-Base interactions energy: -28.496
where: short stacking energy: -28.496
Base-Backbone interact. energy: 0.357
local terms energy: -51.801049
where:
bonds (distance) C4'-P energy: -15.300
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -1.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -223.673443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.673443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.673443 (E_RNA)
where:
Base-Base interactions energy: -142.004
where: short stacking energy: -61.357
Base-Backbone interact. energy: 0.741
local terms energy: -82.410164
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -12.326
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -209.280090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.280090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.280090 (E_RNA)
where:
Base-Base interactions energy: -132.953
where: short stacking energy: -63.543
Base-Backbone interact. energy: 0.474
local terms energy: -76.800708
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -224.293139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.293139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.293139 (E_RNA)
where:
Base-Base interactions energy: -140.017
where: short stacking energy: -83.400
Base-Backbone interact. energy: -0.016
local terms energy: -84.260056
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -183.252746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.252746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.252746 (E_RNA)
where:
Base-Base interactions energy: -108.019
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.048
local terms energy: -75.185961
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -17.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -207.511927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.511927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.511927 (E_RNA)
where:
Base-Base interactions energy: -126.724
where: short stacking energy: -61.480
Base-Backbone interact. energy: -0.277
local terms energy: -80.510915
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -20.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -136.629485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.629485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.629485 (E_RNA)
where:
Base-Base interactions energy: -76.168
where: short stacking energy: -36.407
Base-Backbone interact. energy: -0.213
local terms energy: -60.248044
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -9.904
tors. eta vs tors. theta energy: -10.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -88.417993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.417993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.417993 (E_RNA)
where:
Base-Base interactions energy: -30.275
where: short stacking energy: -26.727
Base-Backbone interact. energy: -0.144
local terms energy: -57.998813
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -17.837
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -0.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -108.256786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.256786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.256786 (E_RNA)
where:
Base-Base interactions energy: -47.199
where: short stacking energy: -44.791
Base-Backbone interact. energy: -0.789
local terms energy: -60.269209
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -7.299
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -98.344706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.344706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.344706 (E_RNA)
where:
Base-Base interactions energy: -41.365
where: short stacking energy: -33.913
Base-Backbone interact. energy: -0.216
local terms energy: -56.764147
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.107
flat angles P-C4'-P energy: -8.194
tors. eta vs tors. theta energy: -3.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -81.940037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.940037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.940037 (E_RNA)
where:
Base-Base interactions energy: -23.021
where: short stacking energy: -21.946
Base-Backbone interact. energy: 0.269
local terms energy: -59.187666
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: 1.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -223.265185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.265185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.265185 (E_RNA)
where:
Base-Base interactions energy: -143.321
where: short stacking energy: -65.490
Base-Backbone interact. energy: 0.739
local terms energy: -80.683425
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -220.877203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.877203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.877203 (E_RNA)
where:
Base-Base interactions energy: -145.665
where: short stacking energy: -63.234
Base-Backbone interact. energy: -0.317
local terms energy: -74.895227
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -205.296357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.296357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.296357 (E_RNA)
where:
Base-Base interactions energy: -126.247
where: short stacking energy: -64.507
Base-Backbone interact. energy: -0.911
local terms energy: -78.138637
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -14.950
flat angles P-C4'-P energy: -14.237
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: 3
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -193.565746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.565746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.565746 (E_RNA)
where:
Base-Base interactions energy: -120.569
where: short stacking energy: -66.864
Base-Backbone interact. energy: -0.546
local terms energy: -72.450411
where:
bonds (distance) C4'-P energy: -14.565
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -12.895
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: 2
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -193.476184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.476184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.476184 (E_RNA)
where:
Base-Base interactions energy: -123.278
where: short stacking energy: -57.804
Base-Backbone interact. energy: 0.204
local terms energy: -70.402055
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -17.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -135.767181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.767181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.767181 (E_RNA)
where:
Base-Base interactions energy: -75.356
where: short stacking energy: -39.447
Base-Backbone interact. energy: -1.179
local terms energy: -59.231868
where:
bonds (distance) C4'-P energy: -17.040
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -14.486
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -96.572492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.572492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.572492 (E_RNA)
where:
Base-Base interactions energy: -39.416
where: short stacking energy: -30.060
Base-Backbone interact. energy: 0.792
local terms energy: -57.949105
where:
bonds (distance) C4'-P energy: -10.959
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -11.312
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: 10
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -92.936009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.936009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.936009 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -30.489
Base-Backbone interact. energy: 0.909
local terms energy: -60.287287
where:
bonds (distance) C4'-P energy: -8.523
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -8.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -83.357552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357552 (E_RNA)
where:
Base-Base interactions energy: -36.080
where: short stacking energy: -33.136
Base-Backbone interact. energy: -0.767
local terms energy: -46.511297
where:
bonds (distance) C4'-P energy: -7.450
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -4.037
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: 8
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -74.471710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.471710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.471710 (E_RNA)
where:
Base-Base interactions energy: -19.096
where: short stacking energy: -19.096
Base-Backbone interact. energy: -0.192
local terms energy: -55.183563
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -0.309
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: 1, replica: 1
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -222.340322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.340322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.340322 (E_RNA)
where:
Base-Base interactions energy: -142.516
where: short stacking energy: -75.012
Base-Backbone interact. energy: -0.366
local terms energy: -79.458476
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -16.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -210.611663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.611663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.611663 (E_RNA)
where:
Base-Base interactions energy: -137.665
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.039
local terms energy: -72.906881
where:
bonds (distance) C4'-P energy: -13.108
bonds (distance) P-C4' energy: -12.958
flat angles C4'-P-C4' energy: -15.419
flat angles P-C4'-P energy: -10.631
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: 6
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -221.309880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.309880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.309880 (E_RNA)
where:
Base-Base interactions energy: -141.036
where: short stacking energy: -61.304
Base-Backbone interact. energy: -0.050
local terms energy: -80.223840
where:
bonds (distance) C4'-P energy: -15.987
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -17.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -178.999804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.999804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.999804 (E_RNA)
where:
Base-Base interactions energy: -112.226
where: short stacking energy: -56.825
Base-Backbone interact. energy: -0.510
local terms energy: -66.263725
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -9.660
flat angles P-C4'-P energy: -13.399
tors. eta vs tors. theta energy: -10.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -175.092348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.092348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.092348 (E_RNA)
where:
Base-Base interactions energy: -101.887
where: short stacking energy: -60.345
Base-Backbone interact. energy: -0.059
local terms energy: -73.146450
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -14.904
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -11.835
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: 6, replica: 5
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -139.938132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.938132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.938132 (E_RNA)
where:
Base-Base interactions energy: -72.196
where: short stacking energy: -43.561
Base-Backbone interact. energy: -0.089
local terms energy: -67.653162
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -12.860
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -15.064
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -98.571484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.571484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.571484 (E_RNA)
where:
Base-Base interactions energy: -45.918
where: short stacking energy: -45.918
Base-Backbone interact. energy: -1.101
local terms energy: -51.552646
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -8.990
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: 8, replica: 9
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -98.922648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.922648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.922648 (E_RNA)
where:
Base-Base interactions energy: -40.888
where: short stacking energy: -26.880
Base-Backbone interact. energy: 0.369
local terms energy: -58.403134
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.024
flat angles P-C4'-P energy: -14.648
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: 9, replica: 10
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -90.511440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511440 (E_RNA)
where:
Base-Base interactions energy: -30.460
where: short stacking energy: -21.431
Base-Backbone interact. energy: 0.276
local terms energy: -60.327607
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -11.795
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: 61
Temperature: 1.350000
Total energy: -89.232587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232587 (E_RNA)
where:
Base-Base interactions energy: -37.183
where: short stacking energy: -31.855
Base-Backbone interact. energy: -0.094
local terms energy: -51.954742
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -11.311
flat angles P-C4'-P energy: -6.566
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: 1, replica: 1
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -227.791605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.791605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.791605 (E_RNA)
where:
Base-Base interactions energy: -144.705
where: short stacking energy: -65.935
Base-Backbone interact. energy: -0.070
local terms energy: -83.016286
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -213.236121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.236121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.236121 (E_RNA)
where:
Base-Base interactions energy: -136.429
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.031
local terms energy: -76.776139
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -15.125
flat angles C4'-P-C4' energy: -17.050
flat angles P-C4'-P energy: -6.459
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -206.753578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.753578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.753578 (E_RNA)
where:
Base-Base interactions energy: -131.829
where: short stacking energy: -63.579
Base-Backbone interact. energy: -0.097
local terms energy: -74.826819
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -16.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -173.581962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.581962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.581962 (E_RNA)
where:
Base-Base interactions energy: -110.378
where: short stacking energy: -63.997
Base-Backbone interact. energy: -0.282
local terms energy: -62.921622
where:
bonds (distance) C4'-P energy: -12.702
bonds (distance) P-C4' energy: -14.058
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -10.983
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: 5, replica: 2
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -204.502343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.502343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.502343 (E_RNA)
where:
Base-Base interactions energy: -132.884
where: short stacking energy: -57.337
Base-Backbone interact. energy: -0.015
local terms energy: -71.603042
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -12.571
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -162.985559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.985559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.985559 (E_RNA)
where:
Base-Base interactions energy: -111.966
where: short stacking energy: -47.409
Base-Backbone interact. energy: -1.302
local terms energy: -49.718262
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -9.222
flat angles C4'-P-C4' energy: -11.884
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -94.655882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.655882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.655882 (E_RNA)
where:
Base-Base interactions energy: -47.561
where: short stacking energy: -41.698
Base-Backbone interact. energy: 2.060
local terms energy: -49.155055
where:
bonds (distance) C4'-P energy: -13.558
bonds (distance) P-C4' energy: -6.948
flat angles C4'-P-C4' energy: -16.172
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -1.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -93.763315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.763315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.763315 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.139
local terms energy: -59.941296
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.690
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -13.338
tors. eta vs tors. theta energy: -3.329
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: 8
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -88.800822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.800822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.800822 (E_RNA)
where:
Base-Base interactions energy: -33.576
where: short stacking energy: -32.456
Base-Backbone interact. energy: -1.392
local terms energy: -53.832821
where:
bonds (distance) C4'-P energy: -9.805
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -11.872
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -4.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -96.391417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.391417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.391417 (E_RNA)
where:
Base-Base interactions energy: -38.955
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.403
local terms energy: -57.033246
where:
bonds (distance) C4'-P energy: -12.959
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -1.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -225.719766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.719766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.719766 (E_RNA)
where:
Base-Base interactions energy: -140.733
where: short stacking energy: -61.422
Base-Backbone interact. energy: -0.814
local terms energy: -84.172165
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -21.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -214.518931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.518931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.518931 (E_RNA)
where:
Base-Base interactions energy: -137.496
where: short stacking energy: -78.493
Base-Backbone interact. energy: -0.009
local terms energy: -77.014094
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -11.542
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: 3, replica: 7
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -207.038197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.038197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.038197 (E_RNA)
where:
Base-Base interactions energy: -135.661
where: short stacking energy: -63.406
Base-Backbone interact. energy: -0.003
local terms energy: -71.374171
where:
bonds (distance) C4'-P energy: -7.903
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -16.165
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: 2
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -196.909836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.909836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.909836 (E_RNA)
where:
Base-Base interactions energy: -131.495
where: short stacking energy: -57.999
Base-Backbone interact. energy: -0.118
local terms energy: -65.296849
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -12.347
flat angles P-C4'-P energy: -8.069
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: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -178.497915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.497915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.497915 (E_RNA)
where:
Base-Base interactions energy: -112.794
where: short stacking energy: -69.797
Base-Backbone interact. energy: -0.042
local terms energy: -65.661704
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -14.538
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -13.444
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: 5
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -170.018539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.018539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.018539 (E_RNA)
where:
Base-Base interactions energy: -108.193
where: short stacking energy: -52.254
Base-Backbone interact. energy: -0.151
local terms energy: -61.674195
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -12.143
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -7.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -98.786113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.786113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.786113 (E_RNA)
where:
Base-Base interactions energy: -42.286
where: short stacking energy: -36.906
Base-Backbone interact. energy: 0.526
local terms energy: -57.025786
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -15.297
flat angles C4'-P-C4' energy: -11.212
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -3.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -115.323558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.323558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.323558 (E_RNA)
where:
Base-Base interactions energy: -51.998
where: short stacking energy: -33.881
Base-Backbone interact. energy: -0.088
local terms energy: -63.237726
where:
bonds (distance) C4'-P energy: -11.006
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -11.767
tors. eta vs tors. theta energy: -10.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -87.843831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.843831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.843831 (E_RNA)
where:
Base-Base interactions energy: -38.944
where: short stacking energy: -40.044
Base-Backbone interact. energy: 0.635
local terms energy: -49.534201
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -8.395
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -1.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -86.732920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.732920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.732920 (E_RNA)
where:
Base-Base interactions energy: -42.920
where: short stacking energy: -35.519
Base-Backbone interact. energy: 0.518
local terms energy: -44.331397
where:
bonds (distance) C4'-P energy: -8.720
bonds (distance) P-C4' energy: -12.584
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -2.612
tors. eta vs tors. theta energy: -8.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -219.535019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.535019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.535019 (E_RNA)
where:
Base-Base interactions energy: -133.017
where: short stacking energy: -65.222
Base-Backbone interact. energy: -0.309
local terms energy: -86.209791
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -14.047
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: 2, replica: 1
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -219.459041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.459041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.459041 (E_RNA)
where:
Base-Base interactions energy: -144.505
where: short stacking energy: -60.107
Base-Backbone interact. energy: -0.051
local terms energy: -74.902786
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.949
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: 3, replica: 7
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -213.148181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.148181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.148181 (E_RNA)
where:
Base-Base interactions energy: -126.711
where: short stacking energy: -68.739
Base-Backbone interact. energy: -0.931
local terms energy: -85.506069
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -19.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -201.435501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.435501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.435501 (E_RNA)
where:
Base-Base interactions energy: -136.327
where: short stacking energy: -58.860
Base-Backbone interact. energy: -0.149
local terms energy: -64.959707
where:
bonds (distance) C4'-P energy: -12.440
bonds (distance) P-C4' energy: -13.234
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -14.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -163.117292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.117292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.117292 (E_RNA)
where:
Base-Base interactions energy: -107.766
where: short stacking energy: -42.592
Base-Backbone interact. energy: -0.479
local terms energy: -54.872372
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -172.880344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.880344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.880344 (E_RNA)
where:
Base-Base interactions energy: -101.992
where: short stacking energy: -60.286
Base-Backbone interact. energy: -0.071
local terms energy: -70.817690
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -19.169
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -15.079
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: 8
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -106.460396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.460396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.460396 (E_RNA)
where:
Base-Base interactions energy: -55.356
where: short stacking energy: -35.226
Base-Backbone interact. energy: -0.397
local terms energy: -50.707044
where:
bonds (distance) C4'-P energy: -10.865
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -7.637
tors. eta vs tors. theta energy: -3.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -105.770940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.770940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.770940 (E_RNA)
where:
Base-Base interactions energy: -52.107
where: short stacking energy: -37.328
Base-Backbone interact. energy: 1.522
local terms energy: -55.185560
where:
bonds (distance) C4'-P energy: -12.721
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -13.133
flat angles P-C4'-P energy: -9.605
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -86.793544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.793544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.793544 (E_RNA)
where:
Base-Base interactions energy: -44.134
where: short stacking energy: -32.232
Base-Backbone interact. energy: 1.454
local terms energy: -44.112767
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -7.766
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -74.873788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.873788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.873788 (E_RNA)
where:
Base-Base interactions energy: -21.804
where: short stacking energy: -21.411
Base-Backbone interact. energy: -0.116
local terms energy: -52.953109
where:
bonds (distance) C4'-P energy: -10.168
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: 1.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -233.331481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.331481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.331481 (E_RNA)
where:
Base-Base interactions energy: -157.340
where: short stacking energy: -72.580
Base-Backbone interact. energy: -0.237
local terms energy: -75.753949
where:
bonds (distance) C4'-P energy: -13.030
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -18.008
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -218.366350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.366350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.366350 (E_RNA)
where:
Base-Base interactions energy: -135.379
where: short stacking energy: -75.570
Base-Backbone interact. energy: -0.803
local terms energy: -82.184390
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -17.054
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -215.138379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.138379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.138379 (E_RNA)
where:
Base-Base interactions energy: -143.944
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.973
local terms energy: -70.221910
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -208.710558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.710558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.710558 (E_RNA)
where:
Base-Base interactions energy: -129.744
where: short stacking energy: -66.379
Base-Backbone interact. energy: -0.011
local terms energy: -78.955818
where:
bonds (distance) C4'-P energy: -17.947
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -17.390
flat angles P-C4'-P energy: -8.318
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: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -157.528380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.528380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.528380 (E_RNA)
where:
Base-Base interactions energy: -90.713
where: short stacking energy: -50.684
Base-Backbone interact. energy: -0.063
local terms energy: -66.753125
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -13.804
tors. eta vs tors. theta energy: -7.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -156.406531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.406531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.406531 (E_RNA)
where:
Base-Base interactions energy: -100.971
where: short stacking energy: -49.365
Base-Backbone interact. energy: -0.256
local terms energy: -55.179167
where:
bonds (distance) C4'-P energy: -5.595
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -8.421
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: 8
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -100.415664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.415664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.415664 (E_RNA)
where:
Base-Base interactions energy: -49.656
where: short stacking energy: -43.841
Base-Backbone interact. energy: 0.499
local terms energy: -51.258559
where:
bonds (distance) C4'-P energy: -10.163
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -11.267
flat angles P-C4'-P energy: -7.470
tors. eta vs tors. theta energy: -5.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -116.797990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.797990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.797990 (E_RNA)
where:
Base-Base interactions energy: -66.549
where: short stacking energy: -37.538
Base-Backbone interact. energy: 3.740
local terms energy: -53.989420
where:
bonds (distance) C4'-P energy: -15.113
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -9.454
flat angles P-C4'-P energy: -7.370
tors. eta vs tors. theta energy: -7.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -84.964247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.964247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.964247 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -27.897
Base-Backbone interact. energy: -0.279
local terms energy: -56.788217
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -13.596
flat angles C4'-P-C4' energy: -15.768
flat angles P-C4'-P energy: -10.194
tors. eta vs tors. theta energy: 1.123
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: 10
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -88.466741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.466741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.466741 (E_RNA)
where:
Base-Base interactions energy: -33.257
where: short stacking energy: -32.894
Base-Backbone interact. energy: -0.116
local terms energy: -55.094140
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -15.752
flat angles C4'-P-C4' energy: -10.997
flat angles P-C4'-P energy: -6.188
tors. eta vs tors. theta energy: -9.290
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: 6
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -226.835443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.835443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.835443 (E_RNA)
where:
Base-Base interactions energy: -151.268
where: short stacking energy: -75.494
Base-Backbone interact. energy: -0.345
local terms energy: -75.223174
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -12.277
flat angles P-C4'-P energy: -13.167
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: 7
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -205.021271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.021271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.021271 (E_RNA)
where:
Base-Base interactions energy: -125.350
where: short stacking energy: -62.083
Base-Backbone interact. energy: -0.089
local terms energy: -79.582220
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -221.765164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.765164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.765164 (E_RNA)
where:
Base-Base interactions energy: -141.696
where: short stacking energy: -72.483
Base-Backbone interact. energy: 0.217
local terms energy: -80.285333
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -19.968
flat angles C4'-P-C4' energy: -14.315
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -20.217
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: 4, replica: 1
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -207.221172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.221172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.221172 (E_RNA)
where:
Base-Base interactions energy: -133.712
where: short stacking energy: -62.789
Base-Backbone interact. energy: 0.331
local terms energy: -73.840310
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -16.065
flat angles C4'-P-C4' energy: -12.913
flat angles P-C4'-P energy: -13.283
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -182.964322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.964322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.964322 (E_RNA)
where:
Base-Base interactions energy: -119.261
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.274
local terms energy: -63.430058
where:
bonds (distance) C4'-P energy: -12.472
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -4.475
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -173.449343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.449343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.449343 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -55.223
Base-Backbone interact. energy: -0.303
local terms energy: -59.575737
where:
bonds (distance) C4'-P energy: -10.042
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -10.652
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: 7, replica: 8
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -94.935503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.935503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.935503 (E_RNA)
where:
Base-Base interactions energy: -44.346
where: short stacking energy: -34.416
Base-Backbone interact. energy: -0.299
local terms energy: -50.290856
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -11.562
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -8.417
tors. eta vs tors. theta energy: -3.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -92.761216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.761216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.761216 (E_RNA)
where:
Base-Base interactions energy: -37.911
where: short stacking energy: -24.965
Base-Backbone interact. energy: -0.651
local terms energy: -54.198588
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -12.126
flat angles P-C4'-P energy: -9.298
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: 10
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -90.620599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.620599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.620599 (E_RNA)
where:
Base-Base interactions energy: -32.929
where: short stacking energy: -27.552
Base-Backbone interact. energy: -0.069
local terms energy: -57.622690
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -13.727
flat angles P-C4'-P energy: -4.886
tors. eta vs tors. theta energy: -3.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -88.748453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.748453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.748453 (E_RNA)
where:
Base-Base interactions energy: -34.798
where: short stacking energy: -34.798
Base-Backbone interact. energy: -0.136
local terms energy: -53.814813
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -6.060
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -225.185247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.185247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.185247 (E_RNA)
where:
Base-Base interactions energy: -150.998
where: short stacking energy: -67.557
Base-Backbone interact. energy: -0.069
local terms energy: -74.118507
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -15.862
flat angles P-C4'-P energy: -9.504
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -215.559964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.559964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.559964 (E_RNA)
where:
Base-Base interactions energy: -138.587
where: short stacking energy: -63.058
Base-Backbone interact. energy: -0.097
local terms energy: -76.876258
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -15.771
flat angles P-C4'-P energy: -12.303
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: 3, replica: 7
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -197.044574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.044574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.044574 (E_RNA)
where:
Base-Base interactions energy: -117.733
where: short stacking energy: -53.035
Base-Backbone interact. energy: -0.121
local terms energy: -79.190623
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -13.362
tors. eta vs tors. theta energy: -12.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -190.521039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.521039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.521039 (E_RNA)
where:
Base-Base interactions energy: -117.064
where: short stacking energy: -57.842
Base-Backbone interact. energy: -0.012
local terms energy: -73.444657
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -190.382333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.382333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.382333 (E_RNA)
where:
Base-Base interactions energy: -120.659
where: short stacking energy: -62.220
Base-Backbone interact. energy: 1.615
local terms energy: -71.338599
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -13.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -171.633078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.633078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.633078 (E_RNA)
where:
Base-Base interactions energy: -112.810
where: short stacking energy: -52.980
Base-Backbone interact. energy: -0.226
local terms energy: -58.597045
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -10.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -98.482875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.482875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.482875 (E_RNA)
where:
Base-Base interactions energy: -37.460
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.192
local terms energy: -60.830842
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -12.275
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -11.038
tors. eta vs tors. theta energy: -4.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -100.563485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.563485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.563485 (E_RNA)
where:
Base-Base interactions energy: -48.564
where: short stacking energy: -20.500
Base-Backbone interact. energy: -0.406
local terms energy: -51.593635
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -14.635
flat angles C4'-P-C4' energy: -11.702
flat angles P-C4'-P energy: -6.269
tors. eta vs tors. theta energy: -3.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -83.230995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.230995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.230995 (E_RNA)
where:
Base-Base interactions energy: -33.024
where: short stacking energy: -24.637
Base-Backbone interact. energy: -0.404
local terms energy: -49.803417
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -10.608
flat angles C4'-P-C4' energy: -16.390
flat angles P-C4'-P energy: -9.206
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: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -81.344300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.344300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.344300 (E_RNA)
where:
Base-Base interactions energy: -29.778
where: short stacking energy: -29.778
Base-Backbone interact. energy: -0.186
local terms energy: -51.379904
where:
bonds (distance) C4'-P energy: -16.345
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -4.386
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -1.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -212.884066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.884066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.884066 (E_RNA)
where:
Base-Base interactions energy: -133.597
where: short stacking energy: -66.948
Base-Backbone interact. energy: -1.287
local terms energy: -78.000690
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -13.784
flat angles P-C4'-P energy: -11.826
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -202.790312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.790312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.790312 (E_RNA)
where:
Base-Base interactions energy: -123.197
where: short stacking energy: -60.184
Base-Backbone interact. energy: -0.014
local terms energy: -79.580094
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: -17.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -208.017624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.017624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.017624 (E_RNA)
where:
Base-Base interactions energy: -130.205
where: short stacking energy: -67.668
Base-Backbone interact. energy: -0.770
local terms energy: -77.043346
where:
bonds (distance) C4'-P energy: -17.374
bonds (distance) P-C4' energy: -13.107
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -20.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -194.572679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.572679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.572679 (E_RNA)
where:
Base-Base interactions energy: -120.341
where: short stacking energy: -68.272
Base-Backbone interact. energy: -0.089
local terms energy: -74.142164
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -16.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -202.682382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.682382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.682382 (E_RNA)
where:
Base-Base interactions energy: -127.448
where: short stacking energy: -62.914
Base-Backbone interact. energy: -0.008
local terms energy: -75.226685
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -17.717
flat angles P-C4'-P energy: -7.421
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -166.332282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.332282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.332282 (E_RNA)
where:
Base-Base interactions energy: -101.329
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.048
local terms energy: -64.955872
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -8.332
tors. eta vs tors. theta energy: -12.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -103.031810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.031810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.031810 (E_RNA)
where:
Base-Base interactions energy: -46.347
where: short stacking energy: -30.687
Base-Backbone interact. energy: -0.057
local terms energy: -56.627893
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -11.791
flat angles P-C4'-P energy: -12.313
tors. eta vs tors. theta energy: -3.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -87.541615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.541615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.541615 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -27.464
Base-Backbone interact. energy: -0.016
local terms energy: -56.946915
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -10.705
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -3.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -80.068675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.068675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.068675 (E_RNA)
where:
Base-Base interactions energy: -25.005
where: short stacking energy: -18.054
Base-Backbone interact. energy: -0.261
local terms energy: -54.802594
where:
bonds (distance) C4'-P energy: -15.837
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -3.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -82.980355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.980355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.980355 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -36.345
Base-Backbone interact. energy: -0.233
local terms energy: -44.134363
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -7.433
flat angles C4'-P-C4' energy: -14.838
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -1.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -213.302039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.302039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.302039 (E_RNA)
where:
Base-Base interactions energy: -130.932
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.100
local terms energy: -82.269908
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -10.474
tors. eta vs tors. theta energy: -21.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -222.898843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.898843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.898843 (E_RNA)
where:
Base-Base interactions energy: -136.672
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.169
local terms energy: -86.057493
where:
bonds (distance) C4'-P energy: -15.796
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -17.244
flat angles P-C4'-P energy: -11.954
tors. eta vs tors. theta energy: -23.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -196.983059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.983059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.983059 (E_RNA)
where:
Base-Base interactions energy: -117.386
where: short stacking energy: -65.776
Base-Backbone interact. energy: -0.185
local terms energy: -79.412035
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -19.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -205.658746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.658746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.658746 (E_RNA)
where:
Base-Base interactions energy: -139.085
where: short stacking energy: -54.633
Base-Backbone interact. energy: -0.294
local terms energy: -66.279325
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -10.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -184.261203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.261203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.261203 (E_RNA)
where:
Base-Base interactions energy: -108.462
where: short stacking energy: -66.180
Base-Backbone interact. energy: -0.010
local terms energy: -75.788842
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -13.181
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -148.773113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.773113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.773113 (E_RNA)
where:
Base-Base interactions energy: -87.178
where: short stacking energy: -46.471
Base-Backbone interact. energy: -0.017
local terms energy: -61.577571
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.231
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: 7, replica: 10
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -124.716139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.716139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.716139 (E_RNA)
where:
Base-Base interactions energy: -69.165
where: short stacking energy: -34.344
Base-Backbone interact. energy: -0.387
local terms energy: -55.165004
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -11.846
flat angles C4'-P-C4' energy: -8.740
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -6.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -104.580151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.580151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.580151 (E_RNA)
where:
Base-Base interactions energy: -57.580
where: short stacking energy: -42.400
Base-Backbone interact. energy: -0.235
local terms energy: -46.765028
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -5.845
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -91.266899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.266899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.266899 (E_RNA)
where:
Base-Base interactions energy: -35.666
where: short stacking energy: -31.492
Base-Backbone interact. energy: -0.135
local terms energy: -55.465886
where:
bonds (distance) C4'-P energy: -14.578
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -11.586
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -2.452
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: 4
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -89.954097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.954097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.954097 (E_RNA)
where:
Base-Base interactions energy: -29.171
where: short stacking energy: -28.348
Base-Backbone interact. energy: -0.126
local terms energy: -60.657356
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -4.959
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: 5
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -230.651435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.651435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.651435 (E_RNA)
where:
Base-Base interactions energy: -142.701
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.499
local terms energy: -87.451314
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -13.457
tors. eta vs tors. theta energy: -23.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -207.872332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.872332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.872332 (E_RNA)
where:
Base-Base interactions energy: -125.300
where: short stacking energy: -73.394
Base-Backbone interact. energy: -0.083
local terms energy: -82.489108
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -16.734
flat angles P-C4'-P energy: -12.792
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: 3, replica: 1
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -209.488282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.488282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.488282 (E_RNA)
where:
Base-Base interactions energy: -134.385
where: short stacking energy: -60.638
Base-Backbone interact. energy: -0.162
local terms energy: -74.941075
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -16.287
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: 2
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -192.874358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.874358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.874358 (E_RNA)
where:
Base-Base interactions energy: -121.030
where: short stacking energy: -53.652
Base-Backbone interact. energy: -0.066
local terms energy: -71.777874
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -14.226
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: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -175.241598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.241598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.241598 (E_RNA)
where:
Base-Base interactions energy: -108.638
where: short stacking energy: -50.642
Base-Backbone interact. energy: -0.018
local terms energy: -66.586024
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -167.448180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.448180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.448180 (E_RNA)
where:
Base-Base interactions energy: -97.163
where: short stacking energy: -61.029
Base-Backbone interact. energy: -0.149
local terms energy: -70.136502
where:
bonds (distance) C4'-P energy: -10.511
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -12.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -100.447631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.447631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.447631 (E_RNA)
where:
Base-Base interactions energy: -39.338
where: short stacking energy: -37.310
Base-Backbone interact. energy: -0.104
local terms energy: -61.005231
where:
bonds (distance) C4'-P energy: -12.581
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.964
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: 10
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -88.387675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.387675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.387675 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -24.936
Base-Backbone interact. energy: -0.465
local terms energy: -54.253669
where:
bonds (distance) C4'-P energy: -16.185
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -97.600337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.600337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.600337 (E_RNA)
where:
Base-Base interactions energy: -35.813
where: short stacking energy: -34.175
Base-Backbone interact. energy: -0.241
local terms energy: -61.546864
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -13.039
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -8.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -81.950495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.950495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.950495 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.064
local terms energy: -54.545412
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -6.400
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -231.688982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.688982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.688982 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -80.992
Base-Backbone interact. energy: -0.049
local terms energy: -89.201521
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.190
flat angles C4'-P-C4' energy: -19.603
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -25.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -225.044001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.044001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.044001 (E_RNA)
where:
Base-Base interactions energy: -150.902
where: short stacking energy: -69.268
Base-Backbone interact. energy: 0.005
local terms energy: -74.147507
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -15.946
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -14.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -201.602141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.602141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.602141 (E_RNA)
where:
Base-Base interactions energy: -130.690
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.002
local terms energy: -70.909480
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -8.637
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: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -187.218123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.218123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.218123 (E_RNA)
where:
Base-Base interactions energy: -112.974
where: short stacking energy: -57.268
Base-Backbone interact. energy: -0.723
local terms energy: -73.520986
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -7.684
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: 5, replica: 7
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -170.609640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.609640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.609640 (E_RNA)
where:
Base-Base interactions energy: -103.017
where: short stacking energy: -51.045
Base-Backbone interact. energy: -0.085
local terms energy: -67.507600
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -11.280
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -105.116672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.116672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.116672 (E_RNA)
where:
Base-Base interactions energy: -40.632
where: short stacking energy: -36.279
Base-Backbone interact. energy: -0.149
local terms energy: -64.336562
where:
bonds (distance) C4'-P energy: -18.828
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -6.150
tors. eta vs tors. theta energy: -8.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -153.388611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.388611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.388611 (E_RNA)
where:
Base-Base interactions energy: -86.224
where: short stacking energy: -45.109
Base-Backbone interact. energy: -0.068
local terms energy: -67.096064
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -17.609
flat angles C4'-P-C4' energy: -11.728
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -11.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -95.812366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.812366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.812366 (E_RNA)
where:
Base-Base interactions energy: -51.873
where: short stacking energy: -23.095
Base-Backbone interact. energy: -0.304
local terms energy: -43.636246
where:
bonds (distance) C4'-P energy: -13.050
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -3.180
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -93.760280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.760280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.760280 (E_RNA)
where:
Base-Base interactions energy: -40.688
where: short stacking energy: -40.688
Base-Backbone interact. energy: -0.240
local terms energy: -52.831905
where:
bonds (distance) C4'-P energy: -7.910
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -12.843
flat angles P-C4'-P energy: -9.815
tors. eta vs tors. theta energy: -5.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -89.635379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.635379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.635379 (E_RNA)
where:
Base-Base interactions energy: -41.354
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.501
local terms energy: -47.781231
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -10.510
flat angles C4'-P-C4' energy: -10.851
flat angles P-C4'-P energy: -7.417
tors. eta vs tors. theta energy: -3.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -217.713393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.713393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.713393 (E_RNA)
where:
Base-Base interactions energy: -135.710
where: short stacking energy: -69.095
Base-Backbone interact. energy: -0.214
local terms energy: -81.789513
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -14.120
flat angles C4'-P-C4' energy: -18.795
flat angles P-C4'-P energy: -12.165
tors. eta vs tors. theta energy: -19.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -220.853880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.853880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.853880 (E_RNA)
where:
Base-Base interactions energy: -132.183
where: short stacking energy: -75.333
Base-Backbone interact. energy: -0.035
local terms energy: -88.636234
where:
bonds (distance) C4'-P energy: -18.570
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -10.071
tors. eta vs tors. theta energy: -23.722
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: 6
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -211.068535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.068535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.068535 (E_RNA)
where:
Base-Base interactions energy: -132.470
where: short stacking energy: -70.204
Base-Backbone interact. energy: -1.590
local terms energy: -77.008710
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -189.723669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.723669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.723669 (E_RNA)
where:
Base-Base interactions energy: -120.434
where: short stacking energy: -49.577
Base-Backbone interact. energy: -0.209
local terms energy: -69.080806
where:
bonds (distance) C4'-P energy: -18.004
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -5.615
tors. eta vs tors. theta energy: -14.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -188.218471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.218471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.218471 (E_RNA)
where:
Base-Base interactions energy: -125.663
where: short stacking energy: -56.648
Base-Backbone interact. energy: -0.483
local terms energy: -62.072797
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -10.611
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -13.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -130.150931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.150931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.150931 (E_RNA)
where:
Base-Base interactions energy: -66.856
where: short stacking energy: -51.633
Base-Backbone interact. energy: -1.359
local terms energy: -61.935694
where:
bonds (distance) C4'-P energy: -16.236
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -11.431
flat angles P-C4'-P energy: -11.392
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: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -144.935733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.935733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.935733 (E_RNA)
where:
Base-Base interactions energy: -85.181
where: short stacking energy: -42.810
Base-Backbone interact. energy: 0.836
local terms energy: -60.590941
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -14.155
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -3.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -96.268217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.268217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.268217 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -25.915
Base-Backbone interact. energy: -1.270
local terms energy: -52.925200
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -2.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -92.917347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.917347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.917347 (E_RNA)
where:
Base-Base interactions energy: -38.603
where: short stacking energy: -34.195
Base-Backbone interact. energy: 0.436
local terms energy: -54.750347
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -10.540
flat angles C4'-P-C4' energy: -12.106
flat angles P-C4'-P energy: -6.797
tors. eta vs tors. theta energy: -8.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -86.725245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.725245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.725245 (E_RNA)
where:
Base-Base interactions energy: -29.264
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.243
local terms energy: -57.218283
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -7.621
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: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -227.250268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.250268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.250268 (E_RNA)
where:
Base-Base interactions energy: -155.517
where: short stacking energy: -73.198
Base-Backbone interact. energy: -0.047
local terms energy: -71.686404
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -13.998
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -4.999
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -213.997107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.997107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.997107 (E_RNA)
where:
Base-Base interactions energy: -139.959
where: short stacking energy: -63.239
Base-Backbone interact. energy: -0.041
local terms energy: -73.997269
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -200.798542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.798542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.798542 (E_RNA)
where:
Base-Base interactions energy: -126.480
where: short stacking energy: -67.247
Base-Backbone interact. energy: -0.288
local terms energy: -74.030326
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -13.979
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -8.910
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: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -196.062568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.062568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.062568 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -52.888
Base-Backbone interact. energy: -0.318
local terms energy: -65.465775
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -9.560
tors. eta vs tors. theta energy: -6.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -199.445226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.445226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.445226 (E_RNA)
where:
Base-Base interactions energy: -124.704
where: short stacking energy: -57.334
Base-Backbone interact. energy: -0.733
local terms energy: -74.008891
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -18.553
flat angles P-C4'-P energy: -6.619
tors. eta vs tors. theta energy: -16.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -159.053987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.053987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.053987 (E_RNA)
where:
Base-Base interactions energy: -85.606
where: short stacking energy: -49.796
Base-Backbone interact. energy: -0.329
local terms energy: -73.118370
where:
bonds (distance) C4'-P energy: -18.848
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -13.836
flat angles P-C4'-P energy: -9.261
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: 7, replica: 9
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -95.300071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300071 (E_RNA)
where:
Base-Base interactions energy: -41.701
where: short stacking energy: -27.737
Base-Backbone interact. energy: 0.504
local terms energy: -54.103898
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -7.440
tors. eta vs tors. theta energy: -0.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -95.903982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.903982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.903982 (E_RNA)
where:
Base-Base interactions energy: -42.002
where: short stacking energy: -42.002
Base-Backbone interact. energy: -0.110
local terms energy: -53.791408
where:
bonds (distance) C4'-P energy: -11.513
bonds (distance) P-C4' energy: -14.055
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -6.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -98.846518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.846518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.846518 (E_RNA)
where:
Base-Base interactions energy: -46.738
where: short stacking energy: -34.529
Base-Backbone interact. energy: -0.507
local terms energy: -51.601420
where:
bonds (distance) C4'-P energy: -8.784
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -4.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -85.641006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.641006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.641006 (E_RNA)
where:
Base-Base interactions energy: -27.147
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.160
local terms energy: -58.334666
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: 2.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -227.080765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.080765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.080765 (E_RNA)
where:
Base-Base interactions energy: -145.955
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.102
local terms energy: -81.023852
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -19.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -220.054388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.054388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.054388 (E_RNA)
where:
Base-Base interactions energy: -150.146
where: short stacking energy: -60.282
Base-Backbone interact. energy: -0.907
local terms energy: -69.001016
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -18.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -200.355606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.355606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.355606 (E_RNA)
where:
Base-Base interactions energy: -120.582
where: short stacking energy: -56.467
Base-Backbone interact. energy: -0.072
local terms energy: -79.700751
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -13.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -201.682077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.682077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.682077 (E_RNA)
where:
Base-Base interactions energy: -122.493
where: short stacking energy: -61.212
Base-Backbone interact. energy: -0.386
local terms energy: -78.803499
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -16.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -181.152724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.152724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.152724 (E_RNA)
where:
Base-Base interactions energy: -118.006
where: short stacking energy: -47.891
Base-Backbone interact. energy: -1.259
local terms energy: -61.887175
where:
bonds (distance) C4'-P energy: -8.739
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -13.885
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -11.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -181.905699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.905699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.905699 (E_RNA)
where:
Base-Base interactions energy: -113.600
where: short stacking energy: -57.649
Base-Backbone interact. energy: -0.116
local terms energy: -68.189658
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -13.555
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -12.230
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: 4
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -92.627071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.627071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.627071 (E_RNA)
where:
Base-Base interactions energy: -41.771
where: short stacking energy: -32.952
Base-Backbone interact. energy: -0.056
local terms energy: -50.800320
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -92.073976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.073976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.073976 (E_RNA)
where:
Base-Base interactions energy: -46.731
where: short stacking energy: -33.986
Base-Backbone interact. energy: -0.313
local terms energy: -45.030241
where:
bonds (distance) C4'-P energy: -7.232
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -8.613
flat angles P-C4'-P energy: -12.088
tors. eta vs tors. theta energy: -1.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -97.990989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.990989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.990989 (E_RNA)
where:
Base-Base interactions energy: -43.570
where: short stacking energy: -20.139
Base-Backbone interact. energy: -0.594
local terms energy: -53.826917
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -15.596
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: -0.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -89.089772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.089772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.089772 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -20.599
Base-Backbone interact. energy: -0.367
local terms energy: -57.162131
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -8.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -235.877050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.877050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.877050 (E_RNA)
where:
Base-Base interactions energy: -160.217
where: short stacking energy: -71.447
Base-Backbone interact. energy: -0.282
local terms energy: -75.378741
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -21.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -214.355585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.355585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.355585 (E_RNA)
where:
Base-Base interactions energy: -138.702
where: short stacking energy: -58.449
Base-Backbone interact. energy: 0.225
local terms energy: -75.878693
where:
bonds (distance) C4'-P energy: -17.916
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -12.070
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: 3, replica: 2
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -195.888260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.888260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.888260 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -63.822
Base-Backbone interact. energy: -0.089
local terms energy: -74.223147
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -8.875
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -189.430009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.430009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.430009 (E_RNA)
where:
Base-Base interactions energy: -115.547
where: short stacking energy: -59.231
Base-Backbone interact. energy: -0.149
local terms energy: -73.734260
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -17.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -173.647087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.647087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.647087 (E_RNA)
where:
Base-Base interactions energy: -104.434
where: short stacking energy: -56.510
Base-Backbone interact. energy: -0.176
local terms energy: -69.036537
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.379
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -12.567
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: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -144.876016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.876016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.876016 (E_RNA)
where:
Base-Base interactions energy: -85.651
where: short stacking energy: -49.940
Base-Backbone interact. energy: 0.380
local terms energy: -59.604909
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -9.861
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -8.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -116.361892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.361892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.361892 (E_RNA)
where:
Base-Base interactions energy: -56.689
where: short stacking energy: -35.629
Base-Backbone interact. energy: -1.181
local terms energy: -58.492189
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -7.295
tors. eta vs tors. theta energy: -6.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -98.906063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.906063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.906063 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.054
local terms energy: -60.715940
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -131.492117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.492117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.492117 (E_RNA)
where:
Base-Base interactions energy: -76.741
where: short stacking energy: -31.220
Base-Backbone interact. energy: 0.836
local terms energy: -55.586898
where:
bonds (distance) C4'-P energy: -10.764
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -6.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -100.321619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321619 (E_RNA)
where:
Base-Base interactions energy: -53.575
where: short stacking energy: -20.991
Base-Backbone interact. energy: -0.297
local terms energy: -46.450089
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -14.026
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: 4.643
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: 76
Temperature: 0.900000
Total energy: -230.405223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.405223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.405223 (E_RNA)
where:
Base-Base interactions energy: -150.448
where: short stacking energy: -66.112
Base-Backbone interact. energy: -0.149
local terms energy: -79.808020
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -15.338
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -18.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -213.714736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.714736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.714736 (E_RNA)
where:
Base-Base interactions energy: -137.454
where: short stacking energy: -65.041
Base-Backbone interact. energy: -0.220
local terms energy: -76.040318
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -190.607046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.607046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.607046 (E_RNA)
where:
Base-Base interactions energy: -117.079
where: short stacking energy: -53.149
Base-Backbone interact. energy: -0.083
local terms energy: -73.444543
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -12.651
tors. eta vs tors. theta energy: -12.548
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: 2
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -192.797044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.797044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.797044 (E_RNA)
where:
Base-Base interactions energy: -116.919
where: short stacking energy: -55.550
Base-Backbone interact. energy: -0.355
local terms energy: -75.523200
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -17.385
flat angles C4'-P-C4' energy: -15.664
flat angles P-C4'-P energy: -9.212
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: 5, replica: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -160.547435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.547435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.547435 (E_RNA)
where:
Base-Base interactions energy: -88.791
where: short stacking energy: -40.923
Base-Backbone interact. energy: -0.493
local terms energy: -71.263182
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.156
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -12.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -139.824952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.824952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.824952 (E_RNA)
where:
Base-Base interactions energy: -77.450
where: short stacking energy: -49.449
Base-Backbone interact. energy: -0.170
local terms energy: -62.204817
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -9.787
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -10.241
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: 7, replica: 9
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -91.868612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.868612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.868612 (E_RNA)
where:
Base-Base interactions energy: -37.351
where: short stacking energy: -18.338
Base-Backbone interact. energy: -1.156
local terms energy: -53.361381
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -7.661
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: 1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -87.039531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.039531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.039531 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -25.316
Base-Backbone interact. energy: -0.092
local terms energy: -45.308112
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -11.113
flat angles P-C4'-P energy: -11.375
tors. eta vs tors. theta energy: 5.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -92.819327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.819327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.819327 (E_RNA)
where:
Base-Base interactions energy: -49.372
where: short stacking energy: -26.549
Base-Backbone interact. energy: -0.493
local terms energy: -42.954670
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -12.017
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -3.789
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: 10, replica: 10
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -115.772291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.772291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.772291 (E_RNA)
where:
Base-Base interactions energy: -69.934
where: short stacking energy: -22.167
Base-Backbone interact. energy: -0.699
local terms energy: -45.139069
where:
bonds (distance) C4'-P energy: -13.271
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -6.226
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 1.410
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: 1
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -236.103758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.103758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.103758 (E_RNA)
where:
Base-Base interactions energy: -149.294
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.116
local terms energy: -86.693842
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -24.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -222.234871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.234871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.234871 (E_RNA)
where:
Base-Base interactions energy: -140.696
where: short stacking energy: -70.212
Base-Backbone interact. energy: -0.244
local terms energy: -81.294480
where:
bonds (distance) C4'-P energy: -17.340
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -21.188
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: 5
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -195.094504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.094504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.094504 (E_RNA)
where:
Base-Base interactions energy: -119.074
where: short stacking energy: -59.259
Base-Backbone interact. energy: -0.052
local terms energy: -75.969040
where:
bonds (distance) C4'-P energy: -14.210
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -13.730
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -183.354487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.354487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.354487 (E_RNA)
where:
Base-Base interactions energy: -107.861
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.096
local terms energy: -75.398199
where:
bonds (distance) C4'-P energy: -14.352
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -13.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -182.029116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.029116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.029116 (E_RNA)
where:
Base-Base interactions energy: -107.540
where: short stacking energy: -70.259
Base-Backbone interact. energy: -0.127
local terms energy: -74.362638
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -13.722
flat angles C4'-P-C4' energy: -13.185
flat angles P-C4'-P energy: -13.086
tors. eta vs tors. theta energy: -16.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -96.005615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.005615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.005615 (E_RNA)
where:
Base-Base interactions energy: -39.206
where: short stacking energy: -38.964
Base-Backbone interact. energy: -0.005
local terms energy: -56.794912
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -10.408
tors. eta vs tors. theta energy: -7.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -110.568605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.568605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.568605 (E_RNA)
where:
Base-Base interactions energy: -55.099
where: short stacking energy: -38.176
Base-Backbone interact. energy: -1.367
local terms energy: -54.102797
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -90.925788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.925788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.925788 (E_RNA)
where:
Base-Base interactions energy: -37.605
where: short stacking energy: -32.062
Base-Backbone interact. energy: -0.178
local terms energy: -53.143010
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -12.498
flat angles C4'-P-C4' energy: -14.954
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -5.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -96.618055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.618055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.618055 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -16.934
Base-Backbone interact. energy: -0.239
local terms energy: -53.163141
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: -3.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -89.371493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.371493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.371493 (E_RNA)
where:
Base-Base interactions energy: -36.959
where: short stacking energy: -36.959
Base-Backbone interact. energy: -0.101
local terms energy: -52.311321
where:
bonds (distance) C4'-P energy: -7.306
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -10.059
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: 6
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -228.157122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.157122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.157122 (E_RNA)
where:
Base-Base interactions energy: -147.096
where: short stacking energy: -62.931
Base-Backbone interact. energy: -0.235
local terms energy: -80.825984
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -221.950052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.950052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.950052 (E_RNA)
where:
Base-Base interactions energy: -145.941
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.088
local terms energy: -75.920749
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -15.483
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -7.413
tors. eta vs tors. theta energy: -18.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -177.695093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.695093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.695093 (E_RNA)
where:
Base-Base interactions energy: -98.461
where: short stacking energy: -60.934
Base-Backbone interact. energy: -0.375
local terms energy: -78.858963
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -15.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -190.451354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.451354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.451354 (E_RNA)
where:
Base-Base interactions energy: -118.358
where: short stacking energy: -64.131
Base-Backbone interact. energy: -0.074
local terms energy: -72.019407
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -15.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -178.751565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.751565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.751565 (E_RNA)
where:
Base-Base interactions energy: -115.953
where: short stacking energy: -63.882
Base-Backbone interact. energy: -0.154
local terms energy: -62.644046
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -11.349
flat angles P-C4'-P energy: -9.438
tors. eta vs tors. theta energy: -15.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -117.382417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.382417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.382417 (E_RNA)
where:
Base-Base interactions energy: -45.403
where: short stacking energy: -33.658
Base-Backbone interact. energy: -0.193
local terms energy: -71.786079
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -7.705
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: 7
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -93.643244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.643244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.643244 (E_RNA)
where:
Base-Base interactions energy: -29.777
where: short stacking energy: -29.777
Base-Backbone interact. energy: -0.104
local terms energy: -63.762862
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -15.314
flat angles P-C4'-P energy: -4.694
tors. eta vs tors. theta energy: -7.919
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: 8
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -87.393071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393071 (E_RNA)
where:
Base-Base interactions energy: -31.305
where: short stacking energy: -27.322
Base-Backbone interact. energy: -0.331
local terms energy: -55.756527
where:
bonds (distance) C4'-P energy: -11.385
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -14.185
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: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -118.877366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.877366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.877366 (E_RNA)
where:
Base-Base interactions energy: -62.164
where: short stacking energy: -36.814
Base-Backbone interact. energy: -0.169
local terms energy: -56.544092
where:
bonds (distance) C4'-P energy: -12.592
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -11.835
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -6.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -91.960545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.960545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.960545 (E_RNA)
where:
Base-Base interactions energy: -34.226
where: short stacking energy: -33.493
Base-Backbone interact. energy: -0.931
local terms energy: -56.804032
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -18.915
flat angles C4'-P-C4' energy: -8.908
flat angles P-C4'-P energy: -8.964
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -210.347468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.347468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.347468 (E_RNA)
where:
Base-Base interactions energy: -131.033
where: short stacking energy: -65.994
Base-Backbone interact. energy: -0.634
local terms energy: -78.681074
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -206.259862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.259862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.259862 (E_RNA)
where:
Base-Base interactions energy: -130.709
where: short stacking energy: -69.781
Base-Backbone interact. energy: -0.270
local terms energy: -75.281234
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -8.895
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -193.369674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.369674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.369674 (E_RNA)
where:
Base-Base interactions energy: -116.222
where: short stacking energy: -64.222
Base-Backbone interact. energy: -0.065
local terms energy: -77.082362
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -15.001
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -13.767
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -193.655147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.655147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.655147 (E_RNA)
where:
Base-Base interactions energy: -117.092
where: short stacking energy: -60.292
Base-Backbone interact. energy: -0.320
local terms energy: -76.242792
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -9.329
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -14.019
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: 5, replica: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -195.946034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.946034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.946034 (E_RNA)
where:
Base-Base interactions energy: -127.706
where: short stacking energy: -60.756
Base-Backbone interact. energy: 0.027
local terms energy: -68.266958
where:
bonds (distance) C4'-P energy: -8.864
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -15.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -105.721867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.721867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.721867 (E_RNA)
where:
Base-Base interactions energy: -42.182
where: short stacking energy: -38.844
Base-Backbone interact. energy: -0.141
local terms energy: -63.399754
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -7.964
tors. eta vs tors. theta energy: -4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -105.746344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.746344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.746344 (E_RNA)
where:
Base-Base interactions energy: -45.209
where: short stacking energy: -44.351
Base-Backbone interact. energy: -0.108
local terms energy: -60.429326
where:
bonds (distance) C4'-P energy: -11.044
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -8.368
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: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -101.352727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.352727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.352727 (E_RNA)
where:
Base-Base interactions energy: -57.234
where: short stacking energy: -32.018
Base-Backbone interact. energy: -0.096
local terms energy: -44.022900
where:
bonds (distance) C4'-P energy: -9.833
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -4.664
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: 9, replica: 8
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -85.684686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.684686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.684686 (E_RNA)
where:
Base-Base interactions energy: -27.841
where: short stacking energy: -21.371
Base-Backbone interact. energy: -0.321
local terms energy: -57.522645
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -1.792
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: 10
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -79.080789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.080789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.080789 (E_RNA)
where:
Base-Base interactions energy: -26.306
where: short stacking energy: -24.188
Base-Backbone interact. energy: -0.110
local terms energy: -52.663948
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.881
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: 0.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -212.553965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.553965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.553965 (E_RNA)
where:
Base-Base interactions energy: -137.873
where: short stacking energy: -64.732
Base-Backbone interact. energy: -0.006
local terms energy: -74.675334
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -17.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -221.427190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.427190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.427190 (E_RNA)
where:
Base-Base interactions energy: -142.235
where: short stacking energy: -67.003
Base-Backbone interact. energy: -0.135
local terms energy: -79.057547
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -15.667
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -15.105
tors. eta vs tors. theta energy: -17.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -197.157232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.157232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.157232 (E_RNA)
where:
Base-Base interactions energy: -118.332
where: short stacking energy: -53.248
Base-Backbone interact. energy: -0.280
local terms energy: -78.545354
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -18.665
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -13.629
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: 4, replica: 3
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -203.871632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.871632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.871632 (E_RNA)
where:
Base-Base interactions energy: -135.602
where: short stacking energy: -72.196
Base-Backbone interact. energy: -0.197
local terms energy: -68.072093
where:
bonds (distance) C4'-P energy: -12.832
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -5.242
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -196.606376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.606376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.606376 (E_RNA)
where:
Base-Base interactions energy: -122.833
where: short stacking energy: -61.824
Base-Backbone interact. energy: -0.113
local terms energy: -73.661012
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -11.912
flat angles C4'-P-C4' energy: -15.810
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -18.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -110.899924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.899924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.899924 (E_RNA)
where:
Base-Base interactions energy: -51.263
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.258
local terms energy: -59.379665
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -14.869
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -102.638277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.638277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.638277 (E_RNA)
where:
Base-Base interactions energy: -37.557
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.094
local terms energy: -64.987442
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -11.322
tors. eta vs tors. theta energy: -9.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -93.458497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.458497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.458497 (E_RNA)
where:
Base-Base interactions energy: -35.244
where: short stacking energy: -31.794
Base-Backbone interact. energy: -0.209
local terms energy: -58.005683
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -12.830
flat angles P-C4'-P energy: -3.730
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: 9, replica: 10
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -82.004078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.004078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.004078 (E_RNA)
where:
Base-Base interactions energy: -28.110
where: short stacking energy: -28.110
Base-Backbone interact. energy: -0.052
local terms energy: -53.842635
where:
bonds (distance) C4'-P energy: -15.838
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -3.633
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -96.396656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.396656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.396656 (E_RNA)
where:
Base-Base interactions energy: -37.563
where: short stacking energy: -30.762
Base-Backbone interact. energy: -0.275
local terms energy: -58.558917
where:
bonds (distance) C4'-P energy: -12.415
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -15.938
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -9.044
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: 1
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -224.986422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.986422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.986422 (E_RNA)
where:
Base-Base interactions energy: -141.932
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.978
local terms energy: -82.077074
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -11.016
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: 2, replica: 6
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -218.723520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.723520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.723520 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -59.712
Base-Backbone interact. energy: -0.365
local terms energy: -71.621328
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -19.031
flat angles C4'-P-C4' energy: -11.715
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -13.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -194.161055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.161055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.161055 (E_RNA)
where:
Base-Base interactions energy: -115.133
where: short stacking energy: -59.100
Base-Backbone interact. energy: -0.686
local terms energy: -78.341540
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -10.289
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: 4, replica: 5
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -189.389381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.389381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.389381 (E_RNA)
where:
Base-Base interactions energy: -121.543
where: short stacking energy: -62.232
Base-Backbone interact. energy: -0.016
local terms energy: -67.829858
where:
bonds (distance) C4'-P energy: -10.081
bonds (distance) P-C4' energy: -10.842
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -17.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -190.386606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.386606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.386606 (E_RNA)
where:
Base-Base interactions energy: -116.997
where: short stacking energy: -58.342
Base-Backbone interact. energy: -0.030
local terms energy: -73.360188
where:
bonds (distance) C4'-P energy: -17.842
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -8.820
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -122.365844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.365844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.365844 (E_RNA)
where:
Base-Base interactions energy: -54.702
where: short stacking energy: -37.411
Base-Backbone interact. energy: -0.677
local terms energy: -66.987400
where:
bonds (distance) C4'-P energy: -17.283
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -9.074
tors. eta vs tors. theta energy: -9.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -118.329383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.329383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.329383 (E_RNA)
where:
Base-Base interactions energy: -53.697
where: short stacking energy: -51.707
Base-Backbone interact. energy: -0.019
local terms energy: -64.613064
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.863
flat angles P-C4'-P energy: -6.418
tors. eta vs tors. theta energy: -12.569
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: 81
Temperature: 1.250000
Total energy: -84.731487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.731487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.731487 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -20.733
Base-Backbone interact. energy: -0.330
local terms energy: -53.060803
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.254
tors. eta vs tors. theta energy: 0.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -86.871498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.871498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.871498 (E_RNA)
where:
Base-Base interactions energy: -30.842
where: short stacking energy: -23.499
Base-Backbone interact. energy: -0.220
local terms energy: -55.810068
where:
bonds (distance) C4'-P energy: -12.459
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -7.068
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -84.403086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403086 (E_RNA)
where:
Base-Base interactions energy: -27.817
where: short stacking energy: -23.623
Base-Backbone interact. energy: -0.082
local terms energy: -56.504027
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -17.478
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -4.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -211.977700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.977700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.977700 (E_RNA)
where:
Base-Base interactions energy: -137.052
where: short stacking energy: -68.915
Base-Backbone interact. energy: -0.521
local terms energy: -74.404466
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -7.589
tors. eta vs tors. theta energy: -18.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -226.904445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.904445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.904445 (E_RNA)
where:
Base-Base interactions energy: -160.146
where: short stacking energy: -64.052
Base-Backbone interact. energy: -0.183
local terms energy: -66.575433
where:
bonds (distance) C4'-P energy: -14.622
bonds (distance) P-C4' energy: -11.655
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -16.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -203.325918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.325918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.325918 (E_RNA)
where:
Base-Base interactions energy: -126.143
where: short stacking energy: -66.388
Base-Backbone interact. energy: -0.084
local terms energy: -77.098666
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -18.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -186.188408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.188408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.188408 (E_RNA)
where:
Base-Base interactions energy: -117.676
where: short stacking energy: -56.315
Base-Backbone interact. energy: 1.432
local terms energy: -69.944583
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -16.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -173.529546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.529546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.529546 (E_RNA)
where:
Base-Base interactions energy: -105.449
where: short stacking energy: -59.446
Base-Backbone interact. energy: -0.008
local terms energy: -68.071933
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -11.374
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: 4
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -128.524095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.524095 (E_RNA)
where:
Base-Base interactions energy: -75.389
where: short stacking energy: -45.867
Base-Backbone interact. energy: -0.085
local terms energy: -53.050010
where:
bonds (distance) C4'-P energy: -9.263
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -11.849
flat angles P-C4'-P energy: -9.182
tors. eta vs tors. theta energy: -7.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -97.611634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.611634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.611634 (E_RNA)
where:
Base-Base interactions energy: -41.622
where: short stacking energy: -38.969
Base-Backbone interact. energy: -0.109
local terms energy: -55.881449
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -10.235
flat angles P-C4'-P energy: -6.157
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: 8, replica: 7
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -101.869848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.869848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.869848 (E_RNA)
where:
Base-Base interactions energy: -43.838
where: short stacking energy: -41.705
Base-Backbone interact. energy: -0.133
local terms energy: -57.898681
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -3.656
tors. eta vs tors. theta energy: -6.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -92.851812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.851812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.851812 (E_RNA)
where:
Base-Base interactions energy: -45.142
where: short stacking energy: -44.385
Base-Backbone interact. energy: -0.122
local terms energy: -47.588447
where:
bonds (distance) C4'-P energy: -13.918
bonds (distance) P-C4' energy: -16.242
flat angles C4'-P-C4' energy: -7.641
flat angles P-C4'-P energy: -7.107
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: 10, replica: 10
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -90.623281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.623281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.623281 (E_RNA)
where:
Base-Base interactions energy: -30.155
where: short stacking energy: -23.333
Base-Backbone interact. energy: -0.081
local terms energy: -60.387299
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -4.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -209.699213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.699213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.699213 (E_RNA)
where:
Base-Base interactions energy: -132.434
where: short stacking energy: -57.977
Base-Backbone interact. energy: -0.003
local terms energy: -77.261959
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -15.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -223.862113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.862113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.862113 (E_RNA)
where:
Base-Base interactions energy: -145.178
where: short stacking energy: -69.695
Base-Backbone interact. energy: 0.121
local terms energy: -78.805577
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -13.683
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: 3, replica: 5
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -196.401519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.401519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.401519 (E_RNA)
where:
Base-Base interactions energy: -124.543
where: short stacking energy: -69.974
Base-Backbone interact. energy: -0.673
local terms energy: -71.185058
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -7.980
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -18.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -193.293790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.293790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.293790 (E_RNA)
where:
Base-Base interactions energy: -124.731
where: short stacking energy: -60.203
Base-Backbone interact. energy: -0.538
local terms energy: -68.024790
where:
bonds (distance) C4'-P energy: -14.004
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -14.796
flat angles P-C4'-P energy: -8.732
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -178.167418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.167418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.167418 (E_RNA)
where:
Base-Base interactions energy: -107.103
where: short stacking energy: -46.108
Base-Backbone interact. energy: -0.115
local terms energy: -70.949345
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -10.069
tors. eta vs tors. theta energy: -13.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -105.220578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.220578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.220578 (E_RNA)
where:
Base-Base interactions energy: -41.242
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.138
local terms energy: -63.840177
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -107.628713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.628713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.628713 (E_RNA)
where:
Base-Base interactions energy: -52.790
where: short stacking energy: -41.327
Base-Backbone interact. energy: -0.287
local terms energy: -54.551656
where:
bonds (distance) C4'-P energy: -13.845
bonds (distance) P-C4' energy: -14.600
flat angles C4'-P-C4' energy: -13.170
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -2.128
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: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -81.799574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.799574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.799574 (E_RNA)
where:
Base-Base interactions energy: -24.235
where: short stacking energy: -24.235
Base-Backbone interact. energy: -0.536
local terms energy: -57.028057
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.455
tors. eta vs tors. theta energy: -5.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -93.805570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.805570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.805570 (E_RNA)
where:
Base-Base interactions energy: -50.487
where: short stacking energy: -37.082
Base-Backbone interact. energy: -0.080
local terms energy: -43.238398
where:
bonds (distance) C4'-P energy: -12.576
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -7.842
flat angles P-C4'-P energy: -6.860
tors. eta vs tors. theta energy: -1.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -83.372190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.372190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.372190 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -22.755
Base-Backbone interact. energy: -1.233
local terms energy: -51.681013
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -11.534
flat angles C4'-P-C4' energy: -13.644
flat angles P-C4'-P energy: -5.217
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: 1, replica: 6
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -209.579219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.579219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.579219 (E_RNA)
where:
Base-Base interactions energy: -126.199
where: short stacking energy: -65.314
Base-Backbone interact. energy: -0.147
local terms energy: -83.233474
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -211.688237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.688237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.688237 (E_RNA)
where:
Base-Base interactions energy: -133.850
where: short stacking energy: -65.997
Base-Backbone interact. energy: -0.647
local terms energy: -77.191460
where:
bonds (distance) C4'-P energy: -14.944
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -14.004
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: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -207.810305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.810305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.810305 (E_RNA)
where:
Base-Base interactions energy: -140.822
where: short stacking energy: -55.796
Base-Backbone interact. energy: -0.422
local terms energy: -66.566470
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -10.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -199.595652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.595652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.595652 (E_RNA)
where:
Base-Base interactions energy: -128.219
where: short stacking energy: -66.285
Base-Backbone interact. energy: -0.099
local terms energy: -71.277389
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -17.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -123.139332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.139332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.139332 (E_RNA)
where:
Base-Base interactions energy: -61.613
where: short stacking energy: -49.660
Base-Backbone interact. energy: -0.090
local terms energy: -61.436674
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -16.628
flat angles C4'-P-C4' energy: -14.700
flat angles P-C4'-P energy: -6.511
tors. eta vs tors. theta energy: -12.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -160.619923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.619923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.619923 (E_RNA)
where:
Base-Base interactions energy: -95.714
where: short stacking energy: -50.226
Base-Backbone interact. energy: -0.167
local terms energy: -64.738921
where:
bonds (distance) C4'-P energy: -11.641
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -10.096
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -14.669
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: 7, replica: 8
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -107.715089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.715089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.715089 (E_RNA)
where:
Base-Base interactions energy: -53.363
where: short stacking energy: -32.020
Base-Backbone interact. energy: -0.163
local terms energy: -54.189372
where:
bonds (distance) C4'-P energy: -14.280
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -111.036698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.036698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.036698 (E_RNA)
where:
Base-Base interactions energy: -56.304
where: short stacking energy: -31.286
Base-Backbone interact. energy: -0.577
local terms energy: -54.155327
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -11.010
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -3.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -103.162786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.162786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.162786 (E_RNA)
where:
Base-Base interactions energy: -46.316
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.068
local terms energy: -56.777992
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -1.931
tors. eta vs tors. theta energy: -9.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -77.164697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.164697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.164697 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -21.396
Base-Backbone interact. energy: -0.383
local terms energy: -47.019868
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -9.921
flat angles P-C4'-P energy: -5.513
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: 6
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -214.309924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.309924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.309924 (E_RNA)
where:
Base-Base interactions energy: -130.440
where: short stacking energy: -64.354
Base-Backbone interact. energy: -0.011
local terms energy: -83.858777
where:
bonds (distance) C4'-P energy: -16.543
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -17.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -238.344664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.344664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.344664 (E_RNA)
where:
Base-Base interactions energy: -166.264
where: short stacking energy: -61.232
Base-Backbone interact. energy: -0.500
local terms energy: -71.580762
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -14.416
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -14.849
tors. eta vs tors. theta energy: -13.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -206.972071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.972071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.972071 (E_RNA)
where:
Base-Base interactions energy: -127.058
where: short stacking energy: -63.339
Base-Backbone interact. energy: -0.263
local terms energy: -79.651321
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -14.514
flat angles P-C4'-P energy: -8.239
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -124.337203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.337203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.337203 (E_RNA)
where:
Base-Base interactions energy: -59.342
where: short stacking energy: -45.569
Base-Backbone interact. energy: -0.157
local terms energy: -64.838398
where:
bonds (distance) C4'-P energy: -17.647
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -188.846925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.846925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.846925 (E_RNA)
where:
Base-Base interactions energy: -112.158
where: short stacking energy: -63.203
Base-Backbone interact. energy: -0.806
local terms energy: -75.882960
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.259
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -167.493550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.493550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.493550 (E_RNA)
where:
Base-Base interactions energy: -92.320
where: short stacking energy: -56.313
Base-Backbone interact. energy: -0.643
local terms energy: -74.530522
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.506
flat angles P-C4'-P energy: -11.069
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -109.248904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.248904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.248904 (E_RNA)
where:
Base-Base interactions energy: -49.304
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.198
local terms energy: -59.747011
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -5.372
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: 7
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -96.937518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.937518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.937518 (E_RNA)
where:
Base-Base interactions energy: -36.641
where: short stacking energy: -35.224
Base-Backbone interact. energy: 3.312
local terms energy: -63.608606
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -12.337
tors. eta vs tors. theta energy: -2.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -92.228638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.228638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.228638 (E_RNA)
where:
Base-Base interactions energy: -36.933
where: short stacking energy: -36.933
Base-Backbone interact. energy: -0.111
local terms energy: -55.184777
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -10.843
flat angles P-C4'-P energy: -6.253
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -88.250402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.250402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.250402 (E_RNA)
where:
Base-Base interactions energy: -40.844
where: short stacking energy: -24.691
Base-Backbone interact. energy: 1.628
local terms energy: -49.034644
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -9.643
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: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -239.837510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.837510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.837510 (E_RNA)
where:
Base-Base interactions energy: -171.409
where: short stacking energy: -67.498
Base-Backbone interact. energy: 1.854
local terms energy: -70.282500
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -7.180
tors. eta vs tors. theta energy: -15.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -199.722025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.722025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.722025 (E_RNA)
where:
Base-Base interactions energy: -119.869
where: short stacking energy: -64.575
Base-Backbone interact. energy: -1.096
local terms energy: -78.756567
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.215
flat angles P-C4'-P energy: -10.313
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -194.649711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.649711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.649711 (E_RNA)
where:
Base-Base interactions energy: -119.649
where: short stacking energy: -58.228
Base-Backbone interact. energy: -0.013
local terms energy: -74.987898
where:
bonds (distance) C4'-P energy: -17.442
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -9.531
tors. eta vs tors. theta energy: -12.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -132.770980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.770980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.770980 (E_RNA)
where:
Base-Base interactions energy: -58.953
where: short stacking energy: -57.431
Base-Backbone interact. energy: -0.002
local terms energy: -73.816227
where:
bonds (distance) C4'-P energy: -18.038
bonds (distance) P-C4' energy: -14.448
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -13.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -163.295191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.295191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.295191 (E_RNA)
where:
Base-Base interactions energy: -99.636
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.051
local terms energy: -63.607920
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -13.689
flat angles C4'-P-C4' energy: -14.053
flat angles P-C4'-P energy: -13.626
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: 5
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -166.496794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.496794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.496794 (E_RNA)
where:
Base-Base interactions energy: -110.076
where: short stacking energy: -44.966
Base-Backbone interact. energy: 0.244
local terms energy: -56.665233
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -6.366
tors. eta vs tors. theta energy: -10.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -94.193403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.193403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.193403 (E_RNA)
where:
Base-Base interactions energy: -37.515
where: short stacking energy: -36.579
Base-Backbone interact. energy: 0.495
local terms energy: -57.173391
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -10.437
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -7.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -104.986437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.986437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.986437 (E_RNA)
where:
Base-Base interactions energy: -53.588
where: short stacking energy: -41.383
Base-Backbone interact. energy: 1.135
local terms energy: -52.533786
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -11.691
flat angles C4'-P-C4' energy: -13.588
flat angles P-C4'-P energy: -5.611
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: 9, replica: 10
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -85.301739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301739 (E_RNA)
where:
Base-Base interactions energy: -30.164
where: short stacking energy: -26.014
Base-Backbone interact. energy: 1.164
local terms energy: -56.302194
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: 0.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -97.944560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.944560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.944560 (E_RNA)
where:
Base-Base interactions energy: -39.530
where: short stacking energy: -20.016
Base-Backbone interact. energy: -0.125
local terms energy: -58.289335
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -14.811
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -12.595
tors. eta vs tors. theta energy: -2.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -241.832854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.832854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.832854 (E_RNA)
where:
Base-Base interactions energy: -162.179
where: short stacking energy: -71.056
Base-Backbone interact. energy: -0.107
local terms energy: -79.547028
where:
bonds (distance) C4'-P energy: -16.132
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -16.098
tors. eta vs tors. theta energy: -15.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -200.596366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.596366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.596366 (E_RNA)
where:
Base-Base interactions energy: -123.425
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.266
local terms energy: -76.905190
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -6.778
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: 3, replica: 6
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -206.619330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.619330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.619330 (E_RNA)
where:
Base-Base interactions energy: -131.708
where: short stacking energy: -63.332
Base-Backbone interact. energy: -0.037
local terms energy: -74.874229
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -20.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -174.854299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.854299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.854299 (E_RNA)
where:
Base-Base interactions energy: -95.133
where: short stacking energy: -54.809
Base-Backbone interact. energy: -0.585
local terms energy: -79.135987
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -108.883199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.883199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.883199 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -38.093
Base-Backbone interact. energy: -0.011
local terms energy: -66.530397
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -11.615
flat angles P-C4'-P energy: -8.036
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: 5
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -179.626010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.626010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.626010 (E_RNA)
where:
Base-Base interactions energy: -113.523
where: short stacking energy: -60.971
Base-Backbone interact. energy: 1.867
local terms energy: -67.970271
where:
bonds (distance) C4'-P energy: -19.088
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -11.090
flat angles P-C4'-P energy: -7.203
tors. eta vs tors. theta energy: -12.914
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: 7
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -99.442628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.442628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.442628 (E_RNA)
where:
Base-Base interactions energy: -37.989
where: short stacking energy: -36.364
Base-Backbone interact. energy: 1.839
local terms energy: -63.291976
where:
bonds (distance) C4'-P energy: -14.150
bonds (distance) P-C4' energy: -10.714
flat angles C4'-P-C4' energy: -16.735
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -8.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -88.881668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.881668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.881668 (E_RNA)
where:
Base-Base interactions energy: -32.229
where: short stacking energy: -32.229
Base-Backbone interact. energy: -0.039
local terms energy: -56.613745
where:
bonds (distance) C4'-P energy: -15.134
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -9.245
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: 10
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -136.761096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.761096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.761096 (E_RNA)
where:
Base-Base interactions energy: -80.776
where: short stacking energy: -45.391
Base-Backbone interact. energy: -0.042
local terms energy: -55.943947
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -10.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -82.679973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679973 (E_RNA)
where:
Base-Base interactions energy: -31.099
where: short stacking energy: -20.042
Base-Backbone interact. energy: -0.104
local terms energy: -51.476670
where:
bonds (distance) C4'-P energy: -11.990
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -6.652
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -247.546959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.546959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.546959 (E_RNA)
where:
Base-Base interactions energy: -176.750
where: short stacking energy: -65.010
Base-Backbone interact. energy: -0.347
local terms energy: -70.450393
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -13.365
flat angles C4'-P-C4' energy: -16.340
flat angles P-C4'-P energy: -9.582
tors. eta vs tors. theta energy: -14.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -201.507547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.507547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.507547 (E_RNA)
where:
Base-Base interactions energy: -124.923
where: short stacking energy: -64.552
Base-Backbone interact. energy: -0.071
local terms energy: -76.513755
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -18.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -215.104112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.104112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.104112 (E_RNA)
where:
Base-Base interactions energy: -146.986
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.047
local terms energy: -68.071331
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.045
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -175.362734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.362734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.362734 (E_RNA)
where:
Base-Base interactions energy: -104.785
where: short stacking energy: -57.578
Base-Backbone interact. energy: -0.093
local terms energy: -70.484436
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -169.879157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.879157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.879157 (E_RNA)
where:
Base-Base interactions energy: -102.177
where: short stacking energy: -52.577
Base-Backbone interact. energy: -0.005
local terms energy: -67.696796
where:
bonds (distance) C4'-P energy: -17.076
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -10.190
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -11.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -103.365356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.365356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.365356 (E_RNA)
where:
Base-Base interactions energy: -46.982
where: short stacking energy: -35.390
Base-Backbone interact. energy: -0.099
local terms energy: -56.284016
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -8.918
tors. eta vs tors. theta energy: -5.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -105.338606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.338606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.338606 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -36.170
Base-Backbone interact. energy: -0.206
local terms energy: -58.932157
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -10.461
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -8.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -94.072166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.072166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.072166 (E_RNA)
where:
Base-Base interactions energy: -50.571
where: short stacking energy: -34.799
Base-Backbone interact. energy: -0.048
local terms energy: -43.453716
where:
bonds (distance) C4'-P energy: -15.228
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -3.400
flat angles P-C4'-P energy: -5.592
tors. eta vs tors. theta energy: -1.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -91.366313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.366313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.366313 (E_RNA)
where:
Base-Base interactions energy: -45.478
where: short stacking energy: -23.851
Base-Backbone interact. energy: -0.127
local terms energy: -45.761357
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -4.259
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: 10, replica: 10
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -128.312666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.312666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.312666 (E_RNA)
where:
Base-Base interactions energy: -79.624
where: short stacking energy: -34.146
Base-Backbone interact. energy: -1.082
local terms energy: -47.606993
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -13.798
flat angles P-C4'-P energy: -5.551
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: 2
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -248.937542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.937542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.937542 (E_RNA)
where:
Base-Base interactions energy: -170.343
where: short stacking energy: -67.932
Base-Backbone interact. energy: -0.862
local terms energy: -77.732855
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -16.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -215.708445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.708445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.708445 (E_RNA)
where:
Base-Base interactions energy: -141.869
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.740
local terms energy: -73.099339
where:
bonds (distance) C4'-P energy: -13.441
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -202.949229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.949229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.949229 (E_RNA)
where:
Base-Base interactions energy: -132.346
where: short stacking energy: -65.070
Base-Backbone interact. energy: 0.019
local terms energy: -70.621765
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -8.187
tors. eta vs tors. theta energy: -14.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -184.183107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.183107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.183107 (E_RNA)
where:
Base-Base interactions energy: -103.808
where: short stacking energy: -60.871
Base-Backbone interact. energy: -0.120
local terms energy: -80.255471
where:
bonds (distance) C4'-P energy: -14.696
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.577
flat angles P-C4'-P energy: -10.649
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: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -164.986536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.986536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.986536 (E_RNA)
where:
Base-Base interactions energy: -94.784
where: short stacking energy: -51.739
Base-Backbone interact. energy: -0.114
local terms energy: -70.088935
where:
bonds (distance) C4'-P energy: -12.668
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.785
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -12.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -105.718611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.718611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.718611 (E_RNA)
where:
Base-Base interactions energy: -51.172
where: short stacking energy: -26.767
Base-Backbone interact. energy: -1.244
local terms energy: -53.302419
where:
bonds (distance) C4'-P energy: -14.092
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -4.791
tors. eta vs tors. theta energy: -1.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -91.214833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.214833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.214833 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -40.059
Base-Backbone interact. energy: 1.729
local terms energy: -43.309312
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -10.725
flat angles C4'-P-C4' energy: -12.403
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -1.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -107.478870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.478870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.478870 (E_RNA)
where:
Base-Base interactions energy: -43.969
where: short stacking energy: -43.103
Base-Backbone interact. energy: 0.961
local terms energy: -64.470806
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -7.820
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: 9, replica: 7
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -87.606610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606610 (E_RNA)
where:
Base-Base interactions energy: -35.319
where: short stacking energy: -30.822
Base-Backbone interact. energy: 0.603
local terms energy: -52.890966
where:
bonds (distance) C4'-P energy: -14.059
bonds (distance) P-C4' energy: -14.238
flat angles C4'-P-C4' energy: -14.665
flat angles P-C4'-P energy: -8.914
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: 10, replica: 10
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -83.845122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.845122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.845122 (E_RNA)
where:
Base-Base interactions energy: -30.072
where: short stacking energy: -28.938
Base-Backbone interact. energy: -0.560
local terms energy: -53.212685
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -13.203
flat angles C4'-P-C4' energy: -10.560
flat angles P-C4'-P energy: -7.699
tors. eta vs tors. theta energy: -9.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -236.695750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.695750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.695750 (E_RNA)
where:
Base-Base interactions energy: -162.911
where: short stacking energy: -74.338
Base-Backbone interact. energy: -0.101
local terms energy: -73.683563
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -11.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -225.627304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.627304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.627304 (E_RNA)
where:
Base-Base interactions energy: -148.017
where: short stacking energy: -67.746
Base-Backbone interact. energy: -0.014
local terms energy: -77.596472
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.954
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: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -202.168293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.168293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.168293 (E_RNA)
where:
Base-Base interactions energy: -126.818
where: short stacking energy: -66.868
Base-Backbone interact. energy: -0.087
local terms energy: -75.263956
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -15.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -181.124760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.124760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.124760 (E_RNA)
where:
Base-Base interactions energy: -112.023
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.898
local terms energy: -68.203548
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -5.402
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: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -170.107638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.107638 (E_RNA)
where:
Base-Base interactions energy: -99.110
where: short stacking energy: -50.931
Base-Backbone interact. energy: -0.131
local terms energy: -70.866272
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -9.005
tors. eta vs tors. theta energy: -14.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -110.472156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.472156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.472156 (E_RNA)
where:
Base-Base interactions energy: -50.593
where: short stacking energy: -30.402
Base-Backbone interact. energy: 0.506
local terms energy: -60.385349
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -3.142
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: 7, replica: 9
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -96.222644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.222644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.222644 (E_RNA)
where:
Base-Base interactions energy: -35.194
where: short stacking energy: -35.100
Base-Backbone interact. energy: 0.308
local terms energy: -61.336050
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: 0.956
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: 8
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -95.655669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.655669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.655669 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -37.974
Base-Backbone interact. energy: -0.291
local terms energy: -56.147354
where:
bonds (distance) C4'-P energy: -10.780
bonds (distance) P-C4' energy: -10.982
flat angles C4'-P-C4' energy: -13.390
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -9.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -97.140756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.140756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.140756 (E_RNA)
where:
Base-Base interactions energy: -41.801
where: short stacking energy: -40.920
Base-Backbone interact. energy: -0.196
local terms energy: -55.143180
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: -5.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -80.205138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.205138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.205138 (E_RNA)
where:
Base-Base interactions energy: -29.401
where: short stacking energy: -26.345
Base-Backbone interact. energy: 1.220
local terms energy: -52.024287
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -1.674
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: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -245.798530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.798530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.798530 (E_RNA)
where:
Base-Base interactions energy: -162.361
where: short stacking energy: -74.997
Base-Backbone interact. energy: -0.297
local terms energy: -83.140762
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -16.933
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -19.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -213.603020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.603020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.603020 (E_RNA)
where:
Base-Base interactions energy: -129.337
where: short stacking energy: -61.494
Base-Backbone interact. energy: -0.029
local terms energy: -84.236671
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -17.289
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: 3, replica: 6
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -219.900274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.900274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.900274 (E_RNA)
where:
Base-Base interactions energy: -141.431
where: short stacking energy: -68.068
Base-Backbone interact. energy: -0.002
local terms energy: -78.468179
where:
bonds (distance) C4'-P energy: -12.199
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -14.250
tors. eta vs tors. theta energy: -18.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -174.948396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.948396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.948396 (E_RNA)
where:
Base-Base interactions energy: -100.796
where: short stacking energy: -59.634
Base-Backbone interact. energy: -0.017
local terms energy: -74.134688
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -174.690168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690168 (E_RNA)
where:
Base-Base interactions energy: -101.448
where: short stacking energy: -51.939
Base-Backbone interact. energy: -0.431
local terms energy: -72.810896
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -14.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -130.255197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.255197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.255197 (E_RNA)
where:
Base-Base interactions energy: -62.576
where: short stacking energy: -47.349
Base-Backbone interact. energy: -1.513
local terms energy: -66.166047
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -12.781
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -12.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -93.392016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.392016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.392016 (E_RNA)
where:
Base-Base interactions energy: -35.718
where: short stacking energy: -35.427
Base-Backbone interact. energy: -0.035
local terms energy: -57.638941
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -10.758
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -5.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -148.493592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.493592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.493592 (E_RNA)
where:
Base-Base interactions energy: -96.379
where: short stacking energy: -44.312
Base-Backbone interact. energy: -0.837
local terms energy: -51.277331
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -12.897
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -4.731
tors. eta vs tors. theta energy: -5.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -91.699571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.699571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.699571 (E_RNA)
where:
Base-Base interactions energy: -31.481
where: short stacking energy: -30.556
Base-Backbone interact. energy: -0.168
local terms energy: -60.050708
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -86.952697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.952697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.952697 (E_RNA)
where:
Base-Base interactions energy: -39.436
where: short stacking energy: -26.112
Base-Backbone interact. energy: -0.045
local terms energy: -47.471934
where:
bonds (distance) C4'-P energy: -10.382
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -9.748
flat angles P-C4'-P energy: -8.157
tors. eta vs tors. theta energy: -2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -246.687033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.687033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.687033 (E_RNA)
where:
Base-Base interactions energy: -171.202
where: short stacking energy: -71.853
Base-Backbone interact. energy: -0.148
local terms energy: -75.337156
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -10.192
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -224.247808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.247808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.247808 (E_RNA)
where:
Base-Base interactions energy: -144.187
where: short stacking energy: -65.507
Base-Backbone interact. energy: -0.010
local terms energy: -80.051003
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -13.852
tors. eta vs tors. theta energy: -18.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -215.460010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.460010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.460010 (E_RNA)
where:
Base-Base interactions energy: -143.761
where: short stacking energy: -70.461
Base-Backbone interact. energy: -0.034
local terms energy: -71.665429
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -14.041
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: 92
Temperature: 1.050000
Total energy: -192.756476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.756476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.756476 (E_RNA)
where:
Base-Base interactions energy: -111.277
where: short stacking energy: -76.037
Base-Backbone interact. energy: -0.036
local terms energy: -81.443986
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -23.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -186.222242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.222242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.222242 (E_RNA)
where:
Base-Base interactions energy: -109.936
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.098
local terms energy: -76.188350
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -13.876
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: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -92.140388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.140388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.140388 (E_RNA)
where:
Base-Base interactions energy: -39.682
where: short stacking energy: -34.119
Base-Backbone interact. energy: -0.808
local terms energy: -51.650324
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -14.131
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -7.008
tors. eta vs tors. theta energy: -0.434
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: 10
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -165.860670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.860670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.860670 (E_RNA)
where:
Base-Base interactions energy: -109.856
where: short stacking energy: -48.260
Base-Backbone interact. energy: -0.431
local terms energy: -55.574089
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -5.815
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -88.781049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.781049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.781049 (E_RNA)
where:
Base-Base interactions energy: -37.971
where: short stacking energy: -37.971
Base-Backbone interact. energy: -0.060
local terms energy: -50.749817
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.581
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -4.776
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -85.301820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.301820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.301820 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.220
local terms energy: -48.788843
where:
bonds (distance) C4'-P energy: -10.161
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -11.544
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -79.667563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.667563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.667563 (E_RNA)
where:
Base-Base interactions energy: -24.340
where: short stacking energy: -13.072
Base-Backbone interact. energy: -0.345
local terms energy: -54.982223
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -14.309
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -254.819967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.819967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.819967 (E_RNA)
where:
Base-Base interactions energy: -179.011
where: short stacking energy: -63.021
Base-Backbone interact. energy: -1.054
local terms energy: -74.754886
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -8.917
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: 2, replica: 1
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -216.653422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.653422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.653422 (E_RNA)
where:
Base-Base interactions energy: -146.305
where: short stacking energy: -67.369
Base-Backbone interact. energy: -0.347
local terms energy: -70.000828
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -18.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -208.909184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.909184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.909184 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -64.643
Base-Backbone interact. energy: -0.111
local terms energy: -85.251146
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -16.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -188.295666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.295666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.295666 (E_RNA)
where:
Base-Base interactions energy: -116.450
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.508
local terms energy: -71.337458
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -13.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -173.057100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.057100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.057100 (E_RNA)
where:
Base-Base interactions energy: -99.002
where: short stacking energy: -61.500
Base-Backbone interact. energy: -0.057
local terms energy: -73.998231
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -19.141
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -16.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -172.259938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.259938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.259938 (E_RNA)
where:
Base-Base interactions energy: -109.580
where: short stacking energy: -47.471
Base-Backbone interact. energy: -0.858
local terms energy: -61.822359
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -12.829
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -12.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -106.977026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.977026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.977026 (E_RNA)
where:
Base-Base interactions energy: -41.151
where: short stacking energy: -41.767
Base-Backbone interact. energy: -0.068
local terms energy: -65.757701
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -15.022
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -12.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -102.777201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.777201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.777201 (E_RNA)
where:
Base-Base interactions energy: -40.845
where: short stacking energy: -29.077
Base-Backbone interact. energy: -0.171
local terms energy: -61.760892
where:
bonds (distance) C4'-P energy: -18.199
bonds (distance) P-C4' energy: -12.930
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -4.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -77.112720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.112720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.112720 (E_RNA)
where:
Base-Base interactions energy: -30.300
where: short stacking energy: -27.979
Base-Backbone interact. energy: -0.450
local terms energy: -46.362573
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -14.076
flat angles C4'-P-C4' energy: -9.501
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: 5.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -84.092408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.092408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.092408 (E_RNA)
where:
Base-Base interactions energy: -37.418
where: short stacking energy: -33.924
Base-Backbone interact. energy: -0.165
local terms energy: -46.508952
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -11.406
flat angles C4'-P-C4' energy: -10.310
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -3.711
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: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -242.752090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.752090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.752090 (E_RNA)
where:
Base-Base interactions energy: -162.597
where: short stacking energy: -65.724
Base-Backbone interact. energy: -0.205
local terms energy: -79.950341
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.801
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: 2, replica: 1
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -220.316600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.316600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.316600 (E_RNA)
where:
Base-Base interactions energy: -144.307
where: short stacking energy: -69.210
Base-Backbone interact. energy: -0.045
local terms energy: -75.964851
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -12.261
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: 3, replica: 6
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -201.486610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.486610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.486610 (E_RNA)
where:
Base-Base interactions energy: -131.499
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.043
local terms energy: -69.944464
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -13.401
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -7.811
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: 4, replica: 5
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -190.714665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.714665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.714665 (E_RNA)
where:
Base-Base interactions energy: -124.299
where: short stacking energy: -62.702
Base-Backbone interact. energy: -0.156
local terms energy: -66.259343
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -16.706
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: 10
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -194.042979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.042979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.042979 (E_RNA)
where:
Base-Base interactions energy: -124.307
where: short stacking energy: -62.159
Base-Backbone interact. energy: -0.544
local terms energy: -69.191771
where:
bonds (distance) C4'-P energy: -8.745
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -14.174
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: 6, replica: 3
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -111.380728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.380728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.380728 (E_RNA)
where:
Base-Base interactions energy: -49.300
where: short stacking energy: -38.898
Base-Backbone interact. energy: -0.147
local terms energy: -61.933987
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: -10.041
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: 9
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -106.907750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.907750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.907750 (E_RNA)
where:
Base-Base interactions energy: -42.212
where: short stacking energy: -29.712
Base-Backbone interact. energy: -0.257
local terms energy: -64.438877
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -5.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -81.027158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.027158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.027158 (E_RNA)
where:
Base-Base interactions energy: -37.946
where: short stacking energy: -19.932
Base-Backbone interact. energy: -0.889
local terms energy: -42.191954
where:
bonds (distance) C4'-P energy: -7.045
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -0.329
tors. eta vs tors. theta energy: -1.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -84.839645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.839645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.839645 (E_RNA)
where:
Base-Base interactions energy: -30.249
where: short stacking energy: -25.446
Base-Backbone interact. energy: -1.091
local terms energy: -53.499799
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -1.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -79.179056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.179056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.179056 (E_RNA)
where:
Base-Base interactions energy: -40.181
where: short stacking energy: -24.080
Base-Backbone interact. energy: -0.689
local terms energy: -38.308657
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -4.621
tors. eta vs tors. theta energy: 4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -247.702733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.702733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.702733 (E_RNA)
where:
Base-Base interactions energy: -174.747
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.327
local terms energy: -72.628323
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -14.654
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -13.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -219.676932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.676932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.676932 (E_RNA)
where:
Base-Base interactions energy: -142.099
where: short stacking energy: -73.985
Base-Backbone interact. energy: -0.073
local terms energy: -77.504494
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -10.313
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -21.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -202.741561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.741561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.741561 (E_RNA)
where:
Base-Base interactions energy: -134.138
where: short stacking energy: -54.961
Base-Backbone interact. energy: -0.043
local terms energy: -68.560871
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -9.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -189.834081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.834081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.834081 (E_RNA)
where:
Base-Base interactions energy: -116.354
where: short stacking energy: -61.773
Base-Backbone interact. energy: -0.116
local terms energy: -73.363849
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -15.524
flat angles P-C4'-P energy: -10.739
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: 5, replica: 5
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -188.258628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.258628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.258628 (E_RNA)
where:
Base-Base interactions energy: -114.523
where: short stacking energy: -56.323
Base-Backbone interact. energy: 0.024
local terms energy: -73.759654
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -10.506
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: 6, replica: 9
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -94.828047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.828047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.828047 (E_RNA)
where:
Base-Base interactions energy: -41.639
where: short stacking energy: -34.058
Base-Backbone interact. energy: -0.817
local terms energy: -52.372418
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -16.278
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -2.084
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: 3
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -94.191547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.191547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.191547 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -24.317
Base-Backbone interact. energy: -0.139
local terms energy: -58.491574
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -87.745919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745919 (E_RNA)
where:
Base-Base interactions energy: -27.517
where: short stacking energy: -27.517
Base-Backbone interact. energy: -0.057
local terms energy: -60.172665
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -14.229
flat angles P-C4'-P energy: -8.676
tors. eta vs tors. theta energy: -7.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -95.561239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.561239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.561239 (E_RNA)
where:
Base-Base interactions energy: -43.658
where: short stacking energy: -30.779
Base-Backbone interact. energy: 0.618
local terms energy: -52.521328
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -12.003
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: 10, replica: 7
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -76.943946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.943946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.943946 (E_RNA)
where:
Base-Base interactions energy: -26.308
where: short stacking energy: -26.308
Base-Backbone interact. energy: -1.350
local terms energy: -49.286346
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.369
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: 2.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -256.789552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.789552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.789552 (E_RNA)
where:
Base-Base interactions energy: -186.257
where: short stacking energy: -61.806
Base-Backbone interact. energy: -0.341
local terms energy: -70.190906
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -12.451
flat angles C4'-P-C4' energy: -10.520
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -16.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -221.464047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.464047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.464047 (E_RNA)
where:
Base-Base interactions energy: -136.731
where: short stacking energy: -73.673
Base-Backbone interact. energy: -0.091
local terms energy: -84.641827
where:
bonds (distance) C4'-P energy: -11.525
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -15.568
tors. eta vs tors. theta energy: -22.248
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: 96
Temperature: 1.000000
Total energy: -200.514985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.514985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.514985 (E_RNA)
where:
Base-Base interactions energy: -123.721
where: short stacking energy: -66.903
Base-Backbone interact. energy: 0.006
local terms energy: -76.800160
where:
bonds (distance) C4'-P energy: -18.844
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: -17.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -196.882525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.882525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.882525 (E_RNA)
where:
Base-Base interactions energy: -118.797
where: short stacking energy: -72.102
Base-Backbone interact. energy: -0.003
local terms energy: -78.082533
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -19.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -179.234102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.234102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.234102 (E_RNA)
where:
Base-Base interactions energy: -112.224
where: short stacking energy: -47.709
Base-Backbone interact. energy: -1.293
local terms energy: -65.717382
where:
bonds (distance) C4'-P energy: -11.754
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.847
tors. eta vs tors. theta energy: -11.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -103.672762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.672762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.672762 (E_RNA)
where:
Base-Base interactions energy: -41.049
where: short stacking energy: -34.485
Base-Backbone interact. energy: -0.914
local terms energy: -61.709329
where:
bonds (distance) C4'-P energy: -13.027
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.180
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: 7, replica: 8
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -105.938388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.938388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.938388 (E_RNA)
where:
Base-Base interactions energy: -50.381
where: short stacking energy: -34.487
Base-Backbone interact. energy: -0.078
local terms energy: -55.479746
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -9.842
tors. eta vs tors. theta energy: -3.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -109.120968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.120968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.120968 (E_RNA)
where:
Base-Base interactions energy: -56.907
where: short stacking energy: -25.931
Base-Backbone interact. energy: 0.259
local terms energy: -52.473398
where:
bonds (distance) C4'-P energy: -11.713
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -10.333
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -109.191770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.191770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.191770 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -31.347
Base-Backbone interact. energy: 0.884
local terms energy: -64.116148
where:
bonds (distance) C4'-P energy: -20.177
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -7.423
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -79.169867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.169867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.169867 (E_RNA)
where:
Base-Base interactions energy: -18.568
where: short stacking energy: -11.638
Base-Backbone interact. energy: -0.499
local terms energy: -60.103327
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -7.781
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: 1, replica: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -259.324507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.324507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.324507 (E_RNA)
where:
Base-Base interactions energy: -185.424
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.059
local terms energy: -73.841783
where:
bonds (distance) C4'-P energy: -14.714
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -14.568
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: 10
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -207.288287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.288287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.288287 (E_RNA)
where:
Base-Base interactions energy: -129.030
where: short stacking energy: -64.787
Base-Backbone interact. energy: -0.083
local terms energy: -78.174652
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -220.302073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.302073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.302073 (E_RNA)
where:
Base-Base interactions energy: -138.615
where: short stacking energy: -62.915
Base-Backbone interact. energy: -0.446
local terms energy: -81.241274
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -8.778
tors. eta vs tors. theta energy: -17.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -182.132123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.132123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.132123 (E_RNA)
where:
Base-Base interactions energy: -121.526
where: short stacking energy: -58.183
Base-Backbone interact. energy: 0.338
local terms energy: -60.943921
where:
bonds (distance) C4'-P energy: -9.811
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -6.859
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: 5, replica: 6
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -205.669098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.669098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.669098 (E_RNA)
where:
Base-Base interactions energy: -136.281
where: short stacking energy: -65.663
Base-Backbone interact. energy: -0.005
local terms energy: -69.383803
where:
bonds (distance) C4'-P energy: -11.946
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -6.043
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: 6, replica: 8
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -104.741783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.741783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.741783 (E_RNA)
where:
Base-Base interactions energy: -38.824
where: short stacking energy: -34.508
Base-Backbone interact. energy: -0.171
local terms energy: -65.746139
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -7.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -136.083175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.083175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.083175 (E_RNA)
where:
Base-Base interactions energy: -76.778
where: short stacking energy: -39.368
Base-Backbone interact. energy: 0.473
local terms energy: -59.777689
where:
bonds (distance) C4'-P energy: -13.026
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -6.071
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: 7
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -92.554610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.554610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.554610 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -24.229
Base-Backbone interact. energy: -0.710
local terms energy: -51.137104
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -13.525
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -2.368
tors. eta vs tors. theta energy: -4.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -82.335039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335039 (E_RNA)
where:
Base-Base interactions energy: -30.215
where: short stacking energy: -26.906
Base-Backbone interact. energy: -0.272
local terms energy: -51.848538
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -4.824
tors. eta vs tors. theta energy: -1.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -84.131168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.131168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.131168 (E_RNA)
where:
Base-Base interactions energy: -34.312
where: short stacking energy: -29.477
Base-Backbone interact. energy: -0.236
local terms energy: -49.582892
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -4.806
tors. eta vs tors. theta energy: 1.120
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: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -267.273935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.273935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.273935 (E_RNA)
where:
Base-Base interactions energy: -194.710
where: short stacking energy: -62.925
Base-Backbone interact. energy: -2.832
local terms energy: -69.732244
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -12.256
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -13.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -207.215069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.215069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.215069 (E_RNA)
where:
Base-Base interactions energy: -126.996
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.014
local terms energy: -80.205243
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -218.279608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.279608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.279608 (E_RNA)
where:
Base-Base interactions energy: -145.687
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.026
local terms energy: -72.566870
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -20.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -207.594019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.594019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.594019 (E_RNA)
where:
Base-Base interactions energy: -140.119
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.489
local terms energy: -66.986889
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -12.330
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -5.203
tors. eta vs tors. theta energy: -18.992
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: 5, replica: 6
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -189.970988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.970988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.970988 (E_RNA)
where:
Base-Base interactions energy: -121.522
where: short stacking energy: -59.265
Base-Backbone interact. energy: -0.043
local terms energy: -68.406002
where:
bonds (distance) C4'-P energy: -12.982
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -16.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -106.901315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.901315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.901315 (E_RNA)
where:
Base-Base interactions energy: -51.599
where: short stacking energy: -45.814
Base-Backbone interact. energy: -0.113
local terms energy: -55.189146
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -13.043
flat angles C4'-P-C4' energy: -10.626
flat angles P-C4'-P energy: -10.638
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -102.605684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.605684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.605684 (E_RNA)
where:
Base-Base interactions energy: -49.028
where: short stacking energy: -31.278
Base-Backbone interact. energy: 0.672
local terms energy: -54.249652
where:
bonds (distance) C4'-P energy: -10.029
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -3.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -144.922924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.922924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.922924 (E_RNA)
where:
Base-Base interactions energy: -89.544
where: short stacking energy: -48.115
Base-Backbone interact. energy: -0.023
local terms energy: -55.355264
where:
bonds (distance) C4'-P energy: -12.356
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -2.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -102.462889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.462889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.462889 (E_RNA)
where:
Base-Base interactions energy: -59.464
where: short stacking energy: -29.018
Base-Backbone interact. energy: -0.338
local terms energy: -42.661587
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -8.841
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -78.479182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.479182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.479182 (E_RNA)
where:
Base-Base interactions energy: -33.779
where: short stacking energy: -13.970
Base-Backbone interact. energy: -0.376
local terms energy: -44.324854
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -12.629
flat angles C4'-P-C4' energy: -7.259
flat angles P-C4'-P energy: -13.231
tors. eta vs tors. theta energy: 2.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -265.196346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.196346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.196346 (E_RNA)
where:
Base-Base interactions energy: -183.715
where: short stacking energy: -68.322
Base-Backbone interact. energy: -1.234
local terms energy: -80.247064
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -12.732
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: 2, replica: 1
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -224.203271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.203271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.203271 (E_RNA)
where:
Base-Base interactions energy: -151.666
where: short stacking energy: -67.907
Base-Backbone interact. energy: -1.301
local terms energy: -71.236095
where:
bonds (distance) C4'-P energy: -12.258
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -6.377
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: 99
Temperature: 1.000000
Total energy: -209.392782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.392782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.392782 (E_RNA)
where:
Base-Base interactions energy: -127.415
where: short stacking energy: -72.323
Base-Backbone interact. energy: -0.049
local terms energy: -81.929073
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -204.706788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.706788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.706788 (E_RNA)
where:
Base-Base interactions energy: -147.230
where: short stacking energy: -65.673
Base-Backbone interact. energy: -1.326
local terms energy: -56.150049
where:
bonds (distance) C4'-P energy: -9.294
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -9.809
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -15.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -186.043935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.043935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.043935 (E_RNA)
where:
Base-Base interactions energy: -115.199
where: short stacking energy: -59.716
Base-Backbone interact. energy: 0.064
local terms energy: -70.908318
where:
bonds (distance) C4'-P energy: -11.401
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -13.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -106.396608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.396608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.396608 (E_RNA)
where:
Base-Base interactions energy: -56.332
where: short stacking energy: -42.221
Base-Backbone interact. energy: -0.337
local terms energy: -49.727547
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -7.618
flat angles P-C4'-P energy: -6.138
tors. eta vs tors. theta energy: -4.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -102.645952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.645952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.645952 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -32.839
Base-Backbone interact. energy: -0.035
local terms energy: -62.110386
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -99.707298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.707298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.707298 (E_RNA)
where:
Base-Base interactions energy: -38.964
where: short stacking energy: -28.610
Base-Backbone interact. energy: -0.267
local terms energy: -60.476432
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.047
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -6.227
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: 99
Temperature: 1.300000
Total energy: -94.094418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.094418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.094418 (E_RNA)
where:
Base-Base interactions energy: -50.782
where: short stacking energy: -22.478
Base-Backbone interact. energy: -0.832
local terms energy: -42.479769
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -9.419
flat angles C4'-P-C4' energy: -7.910
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -2.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -90.862418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.862418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.862418 (E_RNA)
where:
Base-Base interactions energy: -31.341
where: short stacking energy: -24.760
Base-Backbone interact. energy: -0.359
local terms energy: -59.162587
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -8.077
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: 1, replica: 2
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -271.554044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.554044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.554044 (E_RNA)
where:
Base-Base interactions energy: -191.850
where: short stacking energy: -61.630
Base-Backbone interact. energy: -0.983
local terms energy: -78.720242
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -15.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -220.757035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.757035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.757035 (E_RNA)
where:
Base-Base interactions energy: -143.111
where: short stacking energy: -68.012
Base-Backbone interact. energy: -0.079
local terms energy: -77.566640
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -15.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -210.975937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.975937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.975937 (E_RNA)
where:
Base-Base interactions energy: -138.871
where: short stacking energy: -58.582
Base-Backbone interact. energy: 0.242
local terms energy: -72.346888
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -15.508
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -12.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -203.131995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.131995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.131995 (E_RNA)
where:
Base-Base interactions energy: -126.130
where: short stacking energy: -59.420
Base-Backbone interact. energy: 0.124
local terms energy: -77.126196
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -173.561595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.561595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.561595 (E_RNA)
where:
Base-Base interactions energy: -102.925
where: short stacking energy: -42.653
Base-Backbone interact. energy: -1.591
local terms energy: -69.045399
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -14.592
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -9.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -138.527312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.527312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.527312 (E_RNA)
where:
Base-Base interactions energy: -70.662
where: short stacking energy: -42.029
Base-Backbone interact. energy: -1.076
local terms energy: -66.789381
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -11.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -95.353211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.353211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.353211 (E_RNA)
where:
Base-Base interactions energy: -43.264
where: short stacking energy: -34.429
Base-Backbone interact. energy: -1.638
local terms energy: -50.451998
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -16.662
flat angles C4'-P-C4' energy: -12.213
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: 0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -95.446997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.446997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.446997 (E_RNA)
where:
Base-Base interactions energy: -32.675
where: short stacking energy: -32.675
Base-Backbone interact. energy: -0.092
local terms energy: -62.679782
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -16.454
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -2.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -87.575170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575170 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -31.280
Base-Backbone interact. energy: -0.267
local terms energy: -53.119760
where:
bonds (distance) C4'-P energy: -5.937
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -5.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -80.441887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.441887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.441887 (E_RNA)
where:
Base-Base interactions energy: -33.854
where: short stacking energy: -19.907
Base-Backbone interact. energy: -0.302
local terms energy: -46.285057
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -8.659
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: 3.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -265.955967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.955967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.955967 (E_RNA)
where:
Base-Base interactions energy: -189.458
where: short stacking energy: -69.881
Base-Backbone interact. energy: -0.408
local terms energy: -76.089704
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -215.952794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.952794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.952794 (E_RNA)
where:
Base-Base interactions energy: -138.142
where: short stacking energy: -71.044
Base-Backbone interact. energy: -0.219
local terms energy: -77.591117
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -6.510
tors. eta vs tors. theta energy: -17.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -225.611335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.611335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.611335 (E_RNA)
where:
Base-Base interactions energy: -147.114
where: short stacking energy: -65.805
Base-Backbone interact. energy: -0.406
local terms energy: -78.090784
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -17.398
flat angles P-C4'-P energy: -7.010
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: 10
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -207.446465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.446465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.446465 (E_RNA)
where:
Base-Base interactions energy: -136.645
where: short stacking energy: -62.767
Base-Backbone interact. energy: -1.355
local terms energy: -69.447290
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -4.572
tors. eta vs tors. theta energy: -17.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -193.289560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.289560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.289560 (E_RNA)
where:
Base-Base interactions energy: -128.731
where: short stacking energy: -57.845
Base-Backbone interact. energy: -0.469
local terms energy: -64.089594
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -10.391
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -13.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -110.219147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.219147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.219147 (E_RNA)
where:
Base-Base interactions energy: -61.290
where: short stacking energy: -27.550
Base-Backbone interact. energy: -0.826
local terms energy: -48.103355
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -13.546
flat angles P-C4'-P energy: -3.554
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: 7, replica: 7
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -110.792833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.792833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.792833 (E_RNA)
where:
Base-Base interactions energy: -52.400
where: short stacking energy: -33.315
Base-Backbone interact. energy: -0.341
local terms energy: -58.051643
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -10.514
flat angles P-C4'-P energy: -7.959
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: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -93.011051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.011051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.011051 (E_RNA)
where:
Base-Base interactions energy: -34.598
where: short stacking energy: -34.598
Base-Backbone interact. energy: -0.004
local terms energy: -58.409160
where:
bonds (distance) C4'-P energy: -12.642
bonds (distance) P-C4' energy: -12.761
flat angles C4'-P-C4' energy: -13.100
flat angles P-C4'-P energy: -8.745
tors. eta vs tors. theta energy: -11.161
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: 3
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -112.514249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.514249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.514249 (E_RNA)
where:
Base-Base interactions energy: -51.958
where: short stacking energy: -36.381
Base-Backbone interact. energy: -0.233
local terms energy: -60.323347
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -8.742
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: 10, replica: 9
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -79.440575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.440575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.440575 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -22.751
Base-Backbone interact. energy: 0.886
local terms energy: -47.488799
where:
bonds (distance) C4'-P energy: -13.000
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -4.783
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -2.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -254.444583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.444583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.444583 (E_RNA)
where:
Base-Base interactions energy: -179.686
where: short stacking energy: -64.713
Base-Backbone interact. energy: -0.858
local terms energy: -73.900733
where:
bonds (distance) C4'-P energy: -12.760
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -16.465
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: 1
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -210.474637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.474637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.474637 (E_RNA)
where:
Base-Base interactions energy: -131.279
where: short stacking energy: -64.142
Base-Backbone interact. energy: 0.094
local terms energy: -79.289029
where:
bonds (distance) C4'-P energy: -13.957
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -20.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -213.326547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.326547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.326547 (E_RNA)
where:
Base-Base interactions energy: -147.182
where: short stacking energy: -67.825
Base-Backbone interact. energy: -0.252
local terms energy: -65.893098
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -18.570
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -4.906
tors. eta vs tors. theta energy: -14.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -201.905476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.905476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.905476 (E_RNA)
where:
Base-Base interactions energy: -127.085
where: short stacking energy: -54.445
Base-Backbone interact. energy: -0.308
local terms energy: -74.512425
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -120.923038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.923038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.923038 (E_RNA)
where:
Base-Base interactions energy: -65.692
where: short stacking energy: -27.835
Base-Backbone interact. energy: -0.196
local terms energy: -55.034875
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -17.390
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: 2.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -171.799177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.799177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.799177 (E_RNA)
where:
Base-Base interactions energy: -109.944
where: short stacking energy: -55.180
Base-Backbone interact. energy: -0.027
local terms energy: -61.828054
where:
bonds (distance) C4'-P energy: -12.187
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -8.020
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -15.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -94.342949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.342949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.342949 (E_RNA)
where:
Base-Base interactions energy: -37.257
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.236
local terms energy: -56.849188
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -16.006
flat angles P-C4'-P energy: -11.884
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: 8, replica: 7
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -103.045357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.045357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.045357 (E_RNA)
where:
Base-Base interactions energy: -47.778
where: short stacking energy: -29.416
Base-Backbone interact. energy: -1.151
local terms energy: -54.116242
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -13.954
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -6.589
tors. eta vs tors. theta energy: -3.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -99.319841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.319841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.319841 (E_RNA)
where:
Base-Base interactions energy: -48.806
where: short stacking energy: -41.967
Base-Backbone interact. energy: -0.061
local terms energy: -50.452720
where:
bonds (distance) C4'-P energy: -9.306
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -8.123
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -6.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -82.980058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.980058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.980058 (E_RNA)
where:
Base-Base interactions energy: -30.767
where: short stacking energy: -23.944
Base-Backbone interact. energy: 0.138
local terms energy: -52.351126
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -12.340
flat angles P-C4'-P energy: -11.609
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: 1, replica: 2
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -258.740685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.740685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.740685 (E_RNA)
where:
Base-Base interactions energy: -180.607
where: short stacking energy: -67.600
Base-Backbone interact. energy: -0.587
local terms energy: -77.546332
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -219.919127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.919127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.919127 (E_RNA)
where:
Base-Base interactions energy: -143.224
where: short stacking energy: -70.670
Base-Backbone interact. energy: -0.042
local terms energy: -76.653368
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -12.054
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -207.881665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.881665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.881665 (E_RNA)
where:
Base-Base interactions energy: -136.563
where: short stacking energy: -67.878
Base-Backbone interact. energy: 0.843
local terms energy: -72.161424
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -13.692
flat angles C4'-P-C4' energy: -16.388
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -17.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -189.739545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.739545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.739545 (E_RNA)
where:
Base-Base interactions energy: -118.103
where: short stacking energy: -57.068
Base-Backbone interact. energy: -0.029
local terms energy: -71.607462
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -14.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -136.632016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.632016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.632016 (E_RNA)
where:
Base-Base interactions energy: -64.209
where: short stacking energy: -45.034
Base-Backbone interact. energy: -0.291
local terms energy: -72.131944
where:
bonds (distance) C4'-P energy: -14.083
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -12.588
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: 6, replica: 6
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -187.475320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.475320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.475320 (E_RNA)
where:
Base-Base interactions energy: -116.608
where: short stacking energy: -60.998
Base-Backbone interact. energy: -0.049
local terms energy: -70.818519
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -7.775
tors. eta vs tors. theta energy: -16.327
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: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -103.199079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.199079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.199079 (E_RNA)
where:
Base-Base interactions energy: -48.512
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.012
local terms energy: -54.674491
where:
bonds (distance) C4'-P energy: -13.325
bonds (distance) P-C4' energy: -14.194
flat angles C4'-P-C4' energy: -7.935
flat angles P-C4'-P energy: -9.786
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: 8, replica: 9
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -99.669212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.669212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.669212 (E_RNA)
where:
Base-Base interactions energy: -34.120
where: short stacking energy: -30.947
Base-Backbone interact. energy: -0.300
local terms energy: -65.249620
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -12.359
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -10.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -89.170227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.170227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.170227 (E_RNA)
where:
Base-Base interactions energy: -38.401
where: short stacking energy: -24.489
Base-Backbone interact. energy: -0.835
local terms energy: -49.933624
where:
bonds (distance) C4'-P energy: -11.637
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -5.411
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -87.176470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.176470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.176470 (E_RNA)
where:
Base-Base interactions energy: -47.075
where: short stacking energy: -27.922
Base-Backbone interact. energy: -0.350
local terms energy: -39.751196
where:
bonds (distance) C4'-P energy: -6.292
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -8.622
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: 3.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -270.938424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.938424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.938424 (E_RNA)
where:
Base-Base interactions energy: -196.050
where: short stacking energy: -64.711
Base-Backbone interact. energy: -1.553
local terms energy: -73.334881
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -207.512448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.512448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.512448 (E_RNA)
where:
Base-Base interactions energy: -127.599
where: short stacking energy: -64.837
Base-Backbone interact. energy: -1.032
local terms energy: -78.881343
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -20.080
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: 104
Temperature: 1.000000
Total energy: -204.484110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.484110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.484110 (E_RNA)
where:
Base-Base interactions energy: -130.515
where: short stacking energy: -64.539
Base-Backbone interact. energy: -0.160
local terms energy: -73.808484
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -18.178
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: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -189.419288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.419288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.419288 (E_RNA)
where:
Base-Base interactions energy: -126.464
where: short stacking energy: -54.927
Base-Backbone interact. energy: -0.710
local terms energy: -62.245464
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -14.781
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -8.393
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: 104
Temperature: 1.100000
Total energy: -188.297518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.297518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.297518 (E_RNA)
where:
Base-Base interactions energy: -115.938
where: short stacking energy: -57.749
Base-Backbone interact. energy: -0.014
local terms energy: -72.345247
where:
bonds (distance) C4'-P energy: -11.551
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.607
tors. eta vs tors. theta energy: -19.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -144.160146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.160146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.160146 (E_RNA)
where:
Base-Base interactions energy: -76.689
where: short stacking energy: -43.620
Base-Backbone interact. energy: -0.434
local terms energy: -67.037784
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -136.672993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.672993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.672993 (E_RNA)
where:
Base-Base interactions energy: -81.581
where: short stacking energy: -42.874
Base-Backbone interact. energy: -0.165
local terms energy: -54.926931
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -5.593
tors. eta vs tors. theta energy: -4.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -86.718654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.718654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.718654 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -19.446
Base-Backbone interact. energy: 0.404
local terms energy: -44.991769
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -9.473
flat angles P-C4'-P energy: -12.602
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: 9, replica: 3
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -85.856247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.856247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.856247 (E_RNA)
where:
Base-Base interactions energy: -35.186
where: short stacking energy: -32.275
Base-Backbone interact. energy: -0.176
local terms energy: -50.494672
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -11.015
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -7.369
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -89.239472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.239472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.239472 (E_RNA)
where:
Base-Base interactions energy: -37.543
where: short stacking energy: -26.756
Base-Backbone interact. energy: -0.603
local terms energy: -51.093085
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -12.698
flat angles P-C4'-P energy: -4.494
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -261.872309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.872309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.872309 (E_RNA)
where:
Base-Base interactions energy: -191.924
where: short stacking energy: -61.342
Base-Backbone interact. energy: -0.873
local terms energy: -69.076051
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: -11.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -209.075035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.075035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.075035 (E_RNA)
where:
Base-Base interactions energy: -126.341
where: short stacking energy: -64.846
Base-Backbone interact. energy: -1.281
local terms energy: -81.452863
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -21.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -207.134869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.134869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.134869 (E_RNA)
where:
Base-Base interactions energy: -130.694
where: short stacking energy: -68.359
Base-Backbone interact. energy: -0.006
local terms energy: -76.434420
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -10.134
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: -20.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -184.871591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.871591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.871591 (E_RNA)
where:
Base-Base interactions energy: -112.156
where: short stacking energy: -61.680
Base-Backbone interact. energy: 0.815
local terms energy: -73.530576
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -10.394
tors. eta vs tors. theta energy: -17.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -189.305661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.305661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.305661 (E_RNA)
where:
Base-Base interactions energy: -105.395
where: short stacking energy: -57.188
Base-Backbone interact. energy: -0.001
local terms energy: -83.909248
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -17.991
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -13.985
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: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -106.393349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.393349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.393349 (E_RNA)
where:
Base-Base interactions energy: -50.354
where: short stacking energy: -36.095
Base-Backbone interact. energy: -0.007
local terms energy: -56.032639
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -115.699059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.699059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.699059 (E_RNA)
where:
Base-Base interactions energy: -66.128
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.037
local terms energy: -49.534004
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -13.313
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -94.385047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.385047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.385047 (E_RNA)
where:
Base-Base interactions energy: -39.036
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.225
local terms energy: -55.123987
where:
bonds (distance) C4'-P energy: -13.815
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -13.029
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -2.090
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: 8
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -83.518028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.518028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.518028 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -24.652
Base-Backbone interact. energy: -0.847
local terms energy: -46.298219
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -13.889
flat angles C4'-P-C4' energy: -7.099
flat angles P-C4'-P energy: -11.064
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: 10, replica: 7
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -77.604668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.604668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.604668 (E_RNA)
where:
Base-Base interactions energy: -32.439
where: short stacking energy: -25.478
Base-Backbone interact. energy: -0.149
local terms energy: -45.016649
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -13.323
flat angles P-C4'-P energy: -8.573
tors. eta vs tors. theta energy: 2.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -262.841199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.841199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.841199 (E_RNA)
where:
Base-Base interactions energy: -185.095
where: short stacking energy: -66.180
Base-Backbone interact. energy: -1.054
local terms energy: -76.692365
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -9.531
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: 2, replica: 10
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -207.721993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.721993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.721993 (E_RNA)
where:
Base-Base interactions energy: -126.248
where: short stacking energy: -69.644
Base-Backbone interact. energy: -0.061
local terms energy: -81.413508
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -18.018
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -17.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -208.866541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.866541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.866541 (E_RNA)
where:
Base-Base interactions energy: -130.049
where: short stacking energy: -55.732
Base-Backbone interact. energy: -0.020
local terms energy: -78.797131
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -13.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -192.483053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.483053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.483053 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -68.296
Base-Backbone interact. energy: -0.100
local terms energy: -68.492872
where:
bonds (distance) C4'-P energy: -14.397
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -11.851
flat angles P-C4'-P energy: -5.316
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -191.425829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.425829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.425829 (E_RNA)
where:
Base-Base interactions energy: -123.509
where: short stacking energy: -60.054
Base-Backbone interact. energy: -0.010
local terms energy: -67.906972
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.210
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: -15.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -148.417371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.417371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.417371 (E_RNA)
where:
Base-Base interactions energy: -85.748
where: short stacking energy: -45.069
Base-Backbone interact. energy: -0.794
local terms energy: -61.875419
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -12.514
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -5.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -93.768534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.768534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.768534 (E_RNA)
where:
Base-Base interactions energy: -40.684
where: short stacking energy: -15.146
Base-Backbone interact. energy: -0.755
local terms energy: -52.329106
where:
bonds (distance) C4'-P energy: -13.231
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -6.468
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: 8, replica: 3
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -108.965771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.965771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.965771 (E_RNA)
where:
Base-Base interactions energy: -48.342
where: short stacking energy: -44.455
Base-Backbone interact. energy: -0.054
local terms energy: -60.569503
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -1.906
tors. eta vs tors. theta energy: -7.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -100.750142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.750142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.750142 (E_RNA)
where:
Base-Base interactions energy: -49.307
where: short stacking energy: -35.029
Base-Backbone interact. energy: 0.515
local terms energy: -51.957893
where:
bonds (distance) C4'-P energy: -7.890
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -4.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -128.925573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.925573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.925573 (E_RNA)
where:
Base-Base interactions energy: -70.226
where: short stacking energy: -32.326
Base-Backbone interact. energy: 0.278
local terms energy: -58.977535
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -13.442
flat angles P-C4'-P energy: -10.085
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -254.095858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.095858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.095858 (E_RNA)
where:
Base-Base interactions energy: -177.895
where: short stacking energy: -66.978
Base-Backbone interact. energy: -0.411
local terms energy: -75.789982
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -13.026
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: 107
Temperature: 0.950000
Total energy: -212.649771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.649771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.649771 (E_RNA)
where:
Base-Base interactions energy: -133.605
where: short stacking energy: -68.061
Base-Backbone interact. energy: -0.417
local terms energy: -78.627921
where:
bonds (distance) C4'-P energy: -19.030
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -201.080531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.080531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.080531 (E_RNA)
where:
Base-Base interactions energy: -126.195
where: short stacking energy: -67.499
Base-Backbone interact. energy: -0.026
local terms energy: -74.859577
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -14.564
flat angles P-C4'-P energy: -10.898
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: 4, replica: 5
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -194.425561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.425561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.425561 (E_RNA)
where:
Base-Base interactions energy: -122.079
where: short stacking energy: -67.303
Base-Backbone interact. energy: -0.098
local terms energy: -72.248987
where:
bonds (distance) C4'-P energy: -11.619
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -207.350047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.350047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.350047 (E_RNA)
where:
Base-Base interactions energy: -137.542
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.088
local terms energy: -69.719610
where:
bonds (distance) C4'-P energy: -9.824
bonds (distance) P-C4' energy: -15.126
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -136.929835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.929835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.929835 (E_RNA)
where:
Base-Base interactions energy: -77.449
where: short stacking energy: -38.199
Base-Backbone interact. energy: -0.163
local terms energy: -59.317675
where:
bonds (distance) C4'-P energy: -11.435
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -8.946
tors. eta vs tors. theta energy: -10.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -152.087706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.087706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.087706 (E_RNA)
where:
Base-Base interactions energy: -99.684
where: short stacking energy: -42.559
Base-Backbone interact. energy: 4.894
local terms energy: -57.297911
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -14.403
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -4.846
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: 8, replica: 7
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -84.639996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.639996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.639996 (E_RNA)
where:
Base-Base interactions energy: -37.801
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.524
local terms energy: -46.315041
where:
bonds (distance) C4'-P energy: -9.310
bonds (distance) P-C4' energy: -11.761
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -3.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -78.243499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.243499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.243499 (E_RNA)
where:
Base-Base interactions energy: -26.054
where: short stacking energy: -25.774
Base-Backbone interact. energy: -0.750
local terms energy: -51.439233
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -8.836
tors. eta vs tors. theta energy: 0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -86.505319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505319 (E_RNA)
where:
Base-Base interactions energy: -42.227
where: short stacking energy: -29.072
Base-Backbone interact. energy: -1.777
local terms energy: -42.501859
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -7.469
flat angles P-C4'-P energy: -7.285
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -268.068424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.068424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.068424 (E_RNA)
where:
Base-Base interactions energy: -187.991
where: short stacking energy: -68.366
Base-Backbone interact. energy: -1.545
local terms energy: -78.532603
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -16.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -206.982055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.982055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.982055 (E_RNA)
where:
Base-Base interactions energy: -134.613
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.101
local terms energy: -72.267820
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -16.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -214.087904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.087904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.087904 (E_RNA)
where:
Base-Base interactions energy: -134.868
where: short stacking energy: -69.934
Base-Backbone interact. energy: -0.021
local terms energy: -79.198859
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -14.383
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -19.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -192.971629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.971629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.971629 (E_RNA)
where:
Base-Base interactions energy: -120.697
where: short stacking energy: -56.866
Base-Backbone interact. energy: -0.012
local terms energy: -72.262075
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -14.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -196.562543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.562543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.562543 (E_RNA)
where:
Base-Base interactions energy: -132.085
where: short stacking energy: -58.014
Base-Backbone interact. energy: -0.086
local terms energy: -64.391146
where:
bonds (distance) C4'-P energy: -10.957
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -11.019
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: 4
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -158.720140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.720140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.720140 (E_RNA)
where:
Base-Base interactions energy: -96.017
where: short stacking energy: -52.438
Base-Backbone interact. energy: -1.568
local terms energy: -61.134744
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -2.854
tors. eta vs tors. theta energy: -12.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -97.234774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.234774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.234774 (E_RNA)
where:
Base-Base interactions energy: -50.995
where: short stacking energy: -34.019
Base-Backbone interact. energy: -0.127
local terms energy: -46.112089
where:
bonds (distance) C4'-P energy: -6.295
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -157.954929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.954929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.954929 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -56.036
Base-Backbone interact. energy: -0.259
local terms energy: -50.892883
where:
bonds (distance) C4'-P energy: -10.541
bonds (distance) P-C4' energy: -13.545
flat angles C4'-P-C4' energy: -8.950
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -12.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -88.578357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578357 (E_RNA)
where:
Base-Base interactions energy: -29.155
where: short stacking energy: -21.875
Base-Backbone interact. energy: -0.203
local terms energy: -59.219514
where:
bonds (distance) C4'-P energy: -14.330
bonds (distance) P-C4' energy: -16.109
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -1.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -82.149734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.149734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.149734 (E_RNA)
where:
Base-Base interactions energy: -40.960
where: short stacking energy: -20.517
Base-Backbone interact. energy: -0.978
local terms energy: -40.211364
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -5.815
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: 1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -253.931323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.931323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.931323 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -60.956
Base-Backbone interact. energy: -0.132
local terms energy: -78.937552
where:
bonds (distance) C4'-P energy: -16.025
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -13.466
tors. eta vs tors. theta energy: -17.457
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: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -207.866054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.866054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.866054 (E_RNA)
where:
Base-Base interactions energy: -131.244
where: short stacking energy: -72.861
Base-Backbone interact. energy: -0.023
local terms energy: -76.599429
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -17.689
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -17.079
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: 5
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -175.348306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.348306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.348306 (E_RNA)
where:
Base-Base interactions energy: -103.709
where: short stacking energy: -62.908
Base-Backbone interact. energy: -0.886
local terms energy: -70.753825
where:
bonds (distance) C4'-P energy: -12.838
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -14.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -209.674204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.674204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.674204 (E_RNA)
where:
Base-Base interactions energy: -142.079
where: short stacking energy: -57.945
Base-Backbone interact. energy: -0.074
local terms energy: -67.520457
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -11.876
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -16.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -187.831873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.831873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.831873 (E_RNA)
where:
Base-Base interactions energy: -117.395
where: short stacking energy: -63.400
Base-Backbone interact. energy: -0.160
local terms energy: -70.276753
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -12.585
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -17.033
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: 4
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -169.344574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.344574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.344574 (E_RNA)
where:
Base-Base interactions energy: -97.991
where: short stacking energy: -56.970
Base-Backbone interact. energy: -0.706
local terms energy: -70.648257
where:
bonds (distance) C4'-P energy: -12.000
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -18.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -124.713054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.713054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.713054 (E_RNA)
where:
Base-Base interactions energy: -65.046
where: short stacking energy: -25.707
Base-Backbone interact. energy: -0.576
local terms energy: -59.090888
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -16.529
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -153.063327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.063327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.063327 (E_RNA)
where:
Base-Base interactions energy: -92.757
where: short stacking energy: -43.645
Base-Backbone interact. energy: -0.382
local terms energy: -59.924554
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -9.727
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -13.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -91.522956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.522956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.522956 (E_RNA)
where:
Base-Base interactions energy: -30.888
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.238
local terms energy: -60.396807
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -8.797
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: 10, replica: 8
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -82.899785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.899785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.899785 (E_RNA)
where:
Base-Base interactions energy: -34.179
where: short stacking energy: -20.435
Base-Backbone interact. energy: 0.863
local terms energy: -49.583339
where:
bonds (distance) C4'-P energy: -16.033
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: 2.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -220.225086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.225086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.225086 (E_RNA)
where:
Base-Base interactions energy: -134.444
where: short stacking energy: -82.882
Base-Backbone interact. energy: -0.002
local terms energy: -85.779093
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -244.309364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.309364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.309364 (E_RNA)
where:
Base-Base interactions energy: -166.063
where: short stacking energy: -60.405
Base-Backbone interact. energy: -0.842
local terms energy: -77.404322
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -13.586
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -15.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -210.747238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.747238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.747238 (E_RNA)
where:
Base-Base interactions energy: -126.533
where: short stacking energy: -62.940
Base-Backbone interact. energy: -0.001
local terms energy: -84.213593
where:
bonds (distance) C4'-P energy: -15.602
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -16.370
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -167.002841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.002841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.002841 (E_RNA)
where:
Base-Base interactions energy: -106.698
where: short stacking energy: -50.571
Base-Backbone interact. energy: -0.486
local terms energy: -59.818915
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -3.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -184.347333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.347333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.347333 (E_RNA)
where:
Base-Base interactions energy: -106.443
where: short stacking energy: -54.525
Base-Backbone interact. energy: -0.010
local terms energy: -77.893696
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.350
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: 4
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -166.123052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.123052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.123052 (E_RNA)
where:
Base-Base interactions energy: -88.395
where: short stacking energy: -43.287
Base-Backbone interact. energy: -0.020
local terms energy: -77.708054
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.423
flat angles C4'-P-C4' energy: -18.895
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -14.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -154.068639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.068639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.068639 (E_RNA)
where:
Base-Base interactions energy: -94.254
where: short stacking energy: -54.997
Base-Backbone interact. energy: -0.190
local terms energy: -59.625003
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -11.485
flat angles C4'-P-C4' energy: -8.847
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -16.714
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: 7
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -95.934819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.934819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.934819 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -38.613
Base-Backbone interact. energy: -0.129
local terms energy: -57.192482
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -9.294
flat angles P-C4'-P energy: -10.188
tors. eta vs tors. theta energy: -7.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -91.189516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.189516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.189516 (E_RNA)
where:
Base-Base interactions energy: -33.353
where: short stacking energy: -29.646
Base-Backbone interact. energy: 0.205
local terms energy: -58.041103
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -6.700
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -85.773587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.773587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.773587 (E_RNA)
where:
Base-Base interactions energy: -33.225
where: short stacking energy: -29.219
Base-Backbone interact. energy: -0.083
local terms energy: -52.465744
where:
bonds (distance) C4'-P energy: -13.196
bonds (distance) P-C4' energy: -14.412
flat angles C4'-P-C4' energy: -11.858
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -3.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -228.092998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.092998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.092998 (E_RNA)
where:
Base-Base interactions energy: -136.910
where: short stacking energy: -78.677
Base-Backbone interact. energy: -0.017
local terms energy: -91.166596
where:
bonds (distance) C4'-P energy: -18.792
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -23.558
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: 111
Temperature: 0.950000
Total energy: -243.668855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.668855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.668855 (E_RNA)
where:
Base-Base interactions energy: -172.719
where: short stacking energy: -65.150
Base-Backbone interact. energy: -0.207
local terms energy: -70.742908
where:
bonds (distance) C4'-P energy: -10.608
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -13.025
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -217.852294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.852294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.852294 (E_RNA)
where:
Base-Base interactions energy: -139.837
where: short stacking energy: -68.013
Base-Backbone interact. energy: -0.057
local terms energy: -77.958062
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -11.675
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: 6
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -195.460512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.460512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.460512 (E_RNA)
where:
Base-Base interactions energy: -116.012
where: short stacking energy: -73.957
Base-Backbone interact. energy: -0.387
local terms energy: -79.062060
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -22.202
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: 5
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -161.590821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.590821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.590821 (E_RNA)
where:
Base-Base interactions energy: -92.498
where: short stacking energy: -45.100
Base-Backbone interact. energy: -0.059
local terms energy: -69.033773
where:
bonds (distance) C4'-P energy: -15.395
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -10.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -177.024044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.024044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.024044 (E_RNA)
where:
Base-Base interactions energy: -112.862
where: short stacking energy: -53.104
Base-Backbone interact. energy: -0.213
local terms energy: -63.948781
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -16.502
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -15.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -97.183506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.183506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.183506 (E_RNA)
where:
Base-Base interactions energy: -49.262
where: short stacking energy: -28.546
Base-Backbone interact. energy: 0.024
local terms energy: -47.945988
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -91.895481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.895481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.895481 (E_RNA)
where:
Base-Base interactions energy: -43.088
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.113
local terms energy: -48.694931
where:
bonds (distance) C4'-P energy: -11.413
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -91.270182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.270182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.270182 (E_RNA)
where:
Base-Base interactions energy: -30.511
where: short stacking energy: -30.299
Base-Backbone interact. energy: -0.430
local terms energy: -60.329476
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -14.167
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -6.258
tors. eta vs tors. theta energy: -5.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -86.534788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.534788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.534788 (E_RNA)
where:
Base-Base interactions energy: -36.549
where: short stacking energy: -25.279
Base-Backbone interact. energy: -0.392
local terms energy: -49.594032
where:
bonds (distance) C4'-P energy: -18.310
bonds (distance) P-C4' energy: -12.214
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -7.045
tors. eta vs tors. theta energy: 1.511
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: 1, replica: 2
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -251.959133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.959133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.959133 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -68.450
Base-Backbone interact. energy: -0.145
local terms energy: -73.390710
where:
bonds (distance) C4'-P energy: -13.120
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -15.630
tors. eta vs tors. theta energy: -15.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -215.640642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.640642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.640642 (E_RNA)
where:
Base-Base interactions energy: -135.612
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.008
local terms energy: -80.020783
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -23.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -219.795437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.795437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.795437 (E_RNA)
where:
Base-Base interactions energy: -144.491
where: short stacking energy: -74.191
Base-Backbone interact. energy: -0.131
local terms energy: -75.173375
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -17.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -194.193142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.193142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.193142 (E_RNA)
where:
Base-Base interactions energy: -118.636
where: short stacking energy: -71.127
Base-Backbone interact. energy: -0.015
local terms energy: -75.541714
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -15.354
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -17.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -202.202332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.202332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.202332 (E_RNA)
where:
Base-Base interactions energy: -128.876
where: short stacking energy: -57.445
Base-Backbone interact. energy: -0.069
local terms energy: -73.257503
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -13.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -134.207477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.207477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.207477 (E_RNA)
where:
Base-Base interactions energy: -77.799
where: short stacking energy: -31.837
Base-Backbone interact. energy: -0.194
local terms energy: -56.214374
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -8.948
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: 7, replica: 7
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -86.885674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.885674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.885674 (E_RNA)
where:
Base-Base interactions energy: -27.133
where: short stacking energy: -26.883
Base-Backbone interact. energy: -0.261
local terms energy: -59.491800
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -12.011
flat angles P-C4'-P energy: -7.805
tors. eta vs tors. theta energy: -8.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -103.339134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.339134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.339134 (E_RNA)
where:
Base-Base interactions energy: -41.997
where: short stacking energy: -35.633
Base-Backbone interact. energy: -0.492
local terms energy: -60.850247
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -12.837
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -3.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -88.511268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.511268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.511268 (E_RNA)
where:
Base-Base interactions energy: -35.991
where: short stacking energy: -31.959
Base-Backbone interact. energy: -0.487
local terms energy: -52.033594
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -10.348
flat angles C4'-P-C4' energy: -14.051
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -3.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -97.753970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.753970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.753970 (E_RNA)
where:
Base-Base interactions energy: -36.833
where: short stacking energy: -28.175
Base-Backbone interact. energy: 0.846
local terms energy: -61.766975
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -10.556
tors. eta vs tors. theta energy: -1.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -243.611781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.611781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.611781 (E_RNA)
where:
Base-Base interactions energy: -168.684
where: short stacking energy: -69.672
Base-Backbone interact. energy: -0.186
local terms energy: -74.741968
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -7.293
tors. eta vs tors. theta energy: -12.411
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: 1
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -223.957038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.957038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.957038 (E_RNA)
where:
Base-Base interactions energy: -144.975
where: short stacking energy: -78.713
Base-Backbone interact. energy: -0.039
local terms energy: -78.942443
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -15.830
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -214.953004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.953004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.953004 (E_RNA)
where:
Base-Base interactions energy: -137.285
where: short stacking energy: -79.368
Base-Backbone interact. energy: -0.505
local terms energy: -77.162727
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -15.121
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -215.936745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.936745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.936745 (E_RNA)
where:
Base-Base interactions energy: -141.638
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.340
local terms energy: -73.959653
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -17.127
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -16.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -197.750410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.750410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.750410 (E_RNA)
where:
Base-Base interactions energy: -124.909
where: short stacking energy: -63.680
Base-Backbone interact. energy: -0.039
local terms energy: -72.802783
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -106.138310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.138310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.138310 (E_RNA)
where:
Base-Base interactions energy: -45.740
where: short stacking energy: -43.553
Base-Backbone interact. energy: -0.102
local terms energy: -60.296315
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -12.628
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -5.535
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: 5
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -130.618650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.618650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.618650 (E_RNA)
where:
Base-Base interactions energy: -74.798
where: short stacking energy: -46.645
Base-Backbone interact. energy: -0.382
local terms energy: -55.438983
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -3.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -109.042790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.042790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.042790 (E_RNA)
where:
Base-Base interactions energy: -45.933
where: short stacking energy: -43.877
Base-Backbone interact. energy: -0.042
local terms energy: -63.067843
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -8.990
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: 3
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -92.924534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.924534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.924534 (E_RNA)
where:
Base-Base interactions energy: -39.639
where: short stacking energy: -22.143
Base-Backbone interact. energy: -0.204
local terms energy: -53.080905
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -9.405
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -78.802506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.802506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.802506 (E_RNA)
where:
Base-Base interactions energy: -32.886
where: short stacking energy: -12.699
Base-Backbone interact. energy: -0.370
local terms energy: -45.547166
where:
bonds (distance) C4'-P energy: -13.429
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -9.884
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -257.688830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.688830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.688830 (E_RNA)
where:
Base-Base interactions energy: -179.784
where: short stacking energy: -69.307
Base-Backbone interact. energy: -0.432
local terms energy: -77.472602
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -14.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -225.317673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.317673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.317673 (E_RNA)
where:
Base-Base interactions energy: -147.147
where: short stacking energy: -74.186
Base-Backbone interact. energy: -0.791
local terms energy: -77.379543
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -229.559745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.559745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.559745 (E_RNA)
where:
Base-Base interactions energy: -155.323
where: short stacking energy: -65.660
Base-Backbone interact. energy: 0.757
local terms energy: -74.994570
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -17.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -199.022660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.022660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.022660 (E_RNA)
where:
Base-Base interactions energy: -120.976
where: short stacking energy: -63.543
Base-Backbone interact. energy: -0.001
local terms energy: -78.045637
where:
bonds (distance) C4'-P energy: -12.485
bonds (distance) P-C4' energy: -16.476
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -22.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -185.987349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.987349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.987349 (E_RNA)
where:
Base-Base interactions energy: -127.652
where: short stacking energy: -58.821
Base-Backbone interact. energy: -0.073
local terms energy: -58.262832
where:
bonds (distance) C4'-P energy: -9.011
bonds (distance) P-C4' energy: -14.574
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -9.601
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -99.556886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.556886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.556886 (E_RNA)
where:
Base-Base interactions energy: -43.778
where: short stacking energy: -33.980
Base-Backbone interact. energy: -0.174
local terms energy: -55.604971
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -12.969
flat angles P-C4'-P energy: -11.270
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: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -126.764799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.764799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.764799 (E_RNA)
where:
Base-Base interactions energy: -75.798
where: short stacking energy: -33.053
Base-Backbone interact. energy: -0.481
local terms energy: -50.485375
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -9.990
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: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -97.389461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.389461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.389461 (E_RNA)
where:
Base-Base interactions energy: -31.049
where: short stacking energy: -31.049
Base-Backbone interact. energy: -0.124
local terms energy: -66.215962
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.284
flat angles P-C4'-P energy: -13.300
tors. eta vs tors. theta energy: -7.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -96.678266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.678266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.678266 (E_RNA)
where:
Base-Base interactions energy: -39.495
where: short stacking energy: -29.741
Base-Backbone interact. energy: -0.393
local terms energy: -56.790810
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -13.878
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -83.224246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.224246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.224246 (E_RNA)
where:
Base-Base interactions energy: -34.450
where: short stacking energy: -21.798
Base-Backbone interact. energy: -0.286
local terms energy: -48.488530
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: 1.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -249.487896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.487896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.487896 (E_RNA)
where:
Base-Base interactions energy: -177.035
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.862
local terms energy: -71.590345
where:
bonds (distance) C4'-P energy: -12.859
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -15.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -225.193480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.193480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.193480 (E_RNA)
where:
Base-Base interactions energy: -134.865
where: short stacking energy: -71.623
Base-Backbone interact. energy: -1.133
local terms energy: -89.195991
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: -23.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -213.854452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.854452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.854452 (E_RNA)
where:
Base-Base interactions energy: -136.705
where: short stacking energy: -63.622
Base-Backbone interact. energy: -0.086
local terms energy: -77.062707
where:
bonds (distance) C4'-P energy: -19.035
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.642
flat angles P-C4'-P energy: -10.431
tors. eta vs tors. theta energy: -14.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -215.403648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.403648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.403648 (E_RNA)
where:
Base-Base interactions energy: -136.332
where: short stacking energy: -69.340
Base-Backbone interact. energy: 0.291
local terms energy: -79.362297
where:
bonds (distance) C4'-P energy: -14.898
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -12.206
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: 5, replica: 10
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -186.865991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.865991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.865991 (E_RNA)
where:
Base-Base interactions energy: -116.559
where: short stacking energy: -66.454
Base-Backbone interact. energy: 0.076
local terms energy: -70.383593
where:
bonds (distance) C4'-P energy: -14.018
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -12.172
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: 6, replica: 5
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -117.988693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.988693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.988693 (E_RNA)
where:
Base-Base interactions energy: -61.093
where: short stacking energy: -48.542
Base-Backbone interact. energy: 0.056
local terms energy: -56.951868
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -5.198
tors. eta vs tors. theta energy: -8.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -109.734850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.734850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.734850 (E_RNA)
where:
Base-Base interactions energy: -53.889
where: short stacking energy: -27.435
Base-Backbone interact. energy: -0.269
local terms energy: -55.576359
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.886
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -5.546
tors. eta vs tors. theta energy: -2.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -83.348953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.348953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.348953 (E_RNA)
where:
Base-Base interactions energy: -34.189
where: short stacking energy: -34.189
Base-Backbone interact. energy: -0.348
local terms energy: -48.811551
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -10.847
flat angles P-C4'-P energy: -8.799
tors. eta vs tors. theta energy: -1.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -77.967127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.967127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.967127 (E_RNA)
where:
Base-Base interactions energy: -30.030
where: short stacking energy: -26.181
Base-Backbone interact. energy: 0.526
local terms energy: -48.463284
where:
bonds (distance) C4'-P energy: -12.369
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -4.100
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: 3
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -80.508435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.508435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.508435 (E_RNA)
where:
Base-Base interactions energy: -30.681
where: short stacking energy: -23.430
Base-Backbone interact. energy: -0.060
local terms energy: -49.766875
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -8.716
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -1.287
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: 2
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -250.324698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.324698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.324698 (E_RNA)
where:
Base-Base interactions energy: -175.035
where: short stacking energy: -66.350
Base-Backbone interact. energy: -0.182
local terms energy: -75.108538
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -14.644
flat angles P-C4'-P energy: -12.132
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: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -218.732397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.732397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.732397 (E_RNA)
where:
Base-Base interactions energy: -141.042
where: short stacking energy: -74.390
Base-Backbone interact. energy: -1.065
local terms energy: -76.625765
where:
bonds (distance) C4'-P energy: -15.826
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.784
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -19.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -204.914892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.914892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.914892 (E_RNA)
where:
Base-Base interactions energy: -127.360
where: short stacking energy: -65.134
Base-Backbone interact. energy: -0.280
local terms energy: -77.275177
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -12.051
tors. eta vs tors. theta energy: -18.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -193.130611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.130611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.130611 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -56.161
Base-Backbone interact. energy: -0.212
local terms energy: -65.643731
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.970
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: 5, replica: 10
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -186.922845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.922845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.922845 (E_RNA)
where:
Base-Base interactions energy: -115.889
where: short stacking energy: -62.877
Base-Backbone interact. energy: -0.094
local terms energy: -70.939144
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -17.642
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -11.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -101.610852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.610852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.610852 (E_RNA)
where:
Base-Base interactions energy: -39.331
where: short stacking energy: -36.332
Base-Backbone interact. energy: -0.993
local terms energy: -61.286892
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -109.978984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.978984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.978984 (E_RNA)
where:
Base-Base interactions energy: -50.440
where: short stacking energy: -39.737
Base-Backbone interact. energy: 0.341
local terms energy: -59.880706
where:
bonds (distance) C4'-P energy: -14.948
bonds (distance) P-C4' energy: -15.368
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -6.820
tors. eta vs tors. theta energy: -8.756
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: 7
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -99.417241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.417241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.417241 (E_RNA)
where:
Base-Base interactions energy: -50.247
where: short stacking energy: -41.644
Base-Backbone interact. energy: -0.634
local terms energy: -48.535897
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -14.886
flat angles P-C4'-P energy: -4.169
tors. eta vs tors. theta energy: -0.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -94.721219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.721219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.721219 (E_RNA)
where:
Base-Base interactions energy: -43.083
where: short stacking energy: -31.446
Base-Backbone interact. energy: -0.405
local terms energy: -51.233941
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -8.634
flat angles P-C4'-P energy: -13.150
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: 10, replica: 3
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -85.068937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.068937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.068937 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -26.165
Base-Backbone interact. energy: -0.165
local terms energy: -53.290737
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -11.500
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: 0.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -253.311340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.311340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.311340 (E_RNA)
where:
Base-Base interactions energy: -165.000
where: short stacking energy: -66.856
Base-Backbone interact. energy: -0.192
local terms energy: -88.119249
where:
bonds (distance) C4'-P energy: -18.423
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -17.205
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: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -223.144013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.144013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.144013 (E_RNA)
where:
Base-Base interactions energy: -145.239
where: short stacking energy: -68.117
Base-Backbone interact. energy: 0.888
local terms energy: -78.792813
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.742
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -17.279
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: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -200.710711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.710711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.710711 (E_RNA)
where:
Base-Base interactions energy: -125.831
where: short stacking energy: -58.120
Base-Backbone interact. energy: -0.107
local terms energy: -74.772828
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -9.063
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: 4, replica: 10
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -189.888035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.888035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.888035 (E_RNA)
where:
Base-Base interactions energy: -118.289
where: short stacking energy: -58.508
Base-Backbone interact. energy: -0.038
local terms energy: -71.560702
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -15.645
flat angles C4'-P-C4' energy: -13.991
flat angles P-C4'-P energy: -13.129
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: 5, replica: 1
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -204.938165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.938165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.938165 (E_RNA)
where:
Base-Base interactions energy: -140.209
where: short stacking energy: -64.114
Base-Backbone interact. energy: -0.062
local terms energy: -64.667472
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -12.788
flat angles C4'-P-C4' energy: -16.865
flat angles P-C4'-P energy: -5.364
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: 6, replica: 8
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -99.614116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.614116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.614116 (E_RNA)
where:
Base-Base interactions energy: -39.105
where: short stacking energy: -39.105
Base-Backbone interact. energy: -0.044
local terms energy: -60.464981
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.308
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -12.292
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: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -107.774648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.774648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.774648 (E_RNA)
where:
Base-Base interactions energy: -51.360
where: short stacking energy: -32.336
Base-Backbone interact. energy: -0.181
local terms energy: -56.233399
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -3.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -94.206715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.206715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.206715 (E_RNA)
where:
Base-Base interactions energy: -37.639
where: short stacking energy: -29.636
Base-Backbone interact. energy: -0.028
local terms energy: -56.540267
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.611
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -7.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -102.355538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355538 (E_RNA)
where:
Base-Base interactions energy: -39.887
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.122
local terms energy: -62.346762
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -14.771
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -8.824
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: 3
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -81.064274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.064274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.064274 (E_RNA)
where:
Base-Base interactions energy: -28.311
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.350
local terms energy: -52.403503
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -11.910
flat angles P-C4'-P energy: -5.769
tors. eta vs tors. theta energy: -6.235
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: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -222.328115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.328115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.328115 (E_RNA)
where:
Base-Base interactions energy: -146.058
where: short stacking energy: -70.831
Base-Backbone interact. energy: -0.789
local terms energy: -75.480906
where:
bonds (distance) C4'-P energy: -12.158
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.295
tors. eta vs tors. theta energy: -16.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -247.781212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.781212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.781212 (E_RNA)
where:
Base-Base interactions energy: -165.043
where: short stacking energy: -71.688
Base-Backbone interact. energy: -0.302
local terms energy: -82.435564
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -18.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -202.591839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.591839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.591839 (E_RNA)
where:
Base-Base interactions energy: -135.172
where: short stacking energy: -62.910
Base-Backbone interact. energy: -0.033
local terms energy: -67.386921
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -12.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -205.436835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.436835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.436835 (E_RNA)
where:
Base-Base interactions energy: -132.411
where: short stacking energy: -62.604
Base-Backbone interact. energy: -0.022
local terms energy: -73.004381
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -14.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -192.159003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.159003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.159003 (E_RNA)
where:
Base-Base interactions energy: -117.682
where: short stacking energy: -54.177
Base-Backbone interact. energy: -0.241
local terms energy: -74.235255
where:
bonds (distance) C4'-P energy: -16.091
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -10.038
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: 6, replica: 8
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -118.987074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.987074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.987074 (E_RNA)
where:
Base-Base interactions energy: -50.809
where: short stacking energy: -42.648
Base-Backbone interact. energy: -0.570
local terms energy: -67.608422
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -13.779
tors. eta vs tors. theta energy: -11.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -114.546050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.546050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.546050 (E_RNA)
where:
Base-Base interactions energy: -66.991
where: short stacking energy: -47.227
Base-Backbone interact. energy: 0.706
local terms energy: -48.260421
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -6.061
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -103.498666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.498666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.498666 (E_RNA)
where:
Base-Base interactions energy: -41.882
where: short stacking energy: -28.868
Base-Backbone interact. energy: -0.092
local terms energy: -61.524618
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.706
flat angles C4'-P-C4' energy: -13.894
flat angles P-C4'-P energy: -9.709
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: 3
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -86.408054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.408054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.408054 (E_RNA)
where:
Base-Base interactions energy: -29.838
where: short stacking energy: -27.142
Base-Backbone interact. energy: -0.023
local terms energy: -56.547153
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -14.526
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -89.298300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.298300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.298300 (E_RNA)
where:
Base-Base interactions energy: -31.429
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.433
local terms energy: -57.435678
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -0.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -218.820808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.820808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.820808 (E_RNA)
where:
Base-Base interactions energy: -138.334
where: short stacking energy: -65.346
Base-Backbone interact. energy: -0.016
local terms energy: -80.470877
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -17.838
flat angles P-C4'-P energy: -10.788
tors. eta vs tors. theta energy: -17.261
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: 119
Temperature: 0.950000
Total energy: -242.732830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.732830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.732830 (E_RNA)
where:
Base-Base interactions energy: -169.691
where: short stacking energy: -63.048
Base-Backbone interact. energy: 0.602
local terms energy: -73.643486
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -9.675
tors. eta vs tors. theta energy: -17.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -205.995420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.995420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.995420 (E_RNA)
where:
Base-Base interactions energy: -138.601
where: short stacking energy: -54.965
Base-Backbone interact. energy: -0.410
local terms energy: -66.984513
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -12.805
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.938
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: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -208.357894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.357894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.357894 (E_RNA)
where:
Base-Base interactions energy: -131.916
where: short stacking energy: -66.965
Base-Backbone interact. energy: -0.473
local terms energy: -75.968165
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: -18.238
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -211.218211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.218211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.218211 (E_RNA)
where:
Base-Base interactions energy: -146.967
where: short stacking energy: -70.600
Base-Backbone interact. energy: 2.257
local terms energy: -66.508030
where:
bonds (distance) C4'-P energy: -14.972
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -12.614
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: 4
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -121.075159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.075159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.075159 (E_RNA)
where:
Base-Base interactions energy: -57.117
where: short stacking energy: -45.867
Base-Backbone interact. energy: -0.115
local terms energy: -63.843992
where:
bonds (distance) C4'-P energy: -11.915
bonds (distance) P-C4' energy: -13.946
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -12.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -118.733318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.733318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.733318 (E_RNA)
where:
Base-Base interactions energy: -55.770
where: short stacking energy: -44.245
Base-Backbone interact. energy: -0.217
local terms energy: -62.745902
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -14.468
flat angles C4'-P-C4' energy: -14.650
flat angles P-C4'-P energy: -11.085
tors. eta vs tors. theta energy: -9.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -84.230452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.230452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.230452 (E_RNA)
where:
Base-Base interactions energy: -37.536
where: short stacking energy: -34.698
Base-Backbone interact. energy: -0.094
local terms energy: -46.600449
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.086
tors. eta vs tors. theta energy: -4.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -95.397868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.397868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.397868 (E_RNA)
where:
Base-Base interactions energy: -35.192
where: short stacking energy: -33.111
Base-Backbone interact. energy: -0.007
local terms energy: -60.198943
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -9.290
tors. eta vs tors. theta energy: -7.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -99.712666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.712666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.712666 (E_RNA)
where:
Base-Base interactions energy: -39.364
where: short stacking energy: -32.881
Base-Backbone interact. energy: -0.374
local terms energy: -59.974806
where:
bonds (distance) C4'-P energy: -14.377
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -12.761
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: 1, replica: 2
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -256.250389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.250389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.250389 (E_RNA)
where:
Base-Base interactions energy: -175.594
where: short stacking energy: -71.952
Base-Backbone interact. energy: 1.227
local terms energy: -81.883870
where:
bonds (distance) C4'-P energy: -16.480
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -15.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -218.685457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.685457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.685457 (E_RNA)
where:
Base-Base interactions energy: -141.829
where: short stacking energy: -71.183
Base-Backbone interact. energy: -0.034
local terms energy: -76.822528
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -17.331
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -12.965
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: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -191.041102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.041102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.041102 (E_RNA)
where:
Base-Base interactions energy: -118.058
where: short stacking energy: -64.995
Base-Backbone interact. energy: -0.117
local terms energy: -72.866189
where:
bonds (distance) C4'-P energy: -15.760
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -10.851
tors. eta vs tors. theta energy: -11.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -196.535656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.535656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.535656 (E_RNA)
where:
Base-Base interactions energy: -123.928
where: short stacking energy: -48.069
Base-Backbone interact. energy: -0.260
local terms energy: -72.347351
where:
bonds (distance) C4'-P energy: -14.945
bonds (distance) P-C4' energy: -19.130
flat angles C4'-P-C4' energy: -15.093
flat angles P-C4'-P energy: -11.497
tors. eta vs tors. theta energy: -11.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -182.139343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.139343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.139343 (E_RNA)
where:
Base-Base interactions energy: -125.273
where: short stacking energy: -40.987
Base-Backbone interact. energy: -0.887
local terms energy: -55.979424
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -10.196
flat angles P-C4'-P energy: -8.098
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: 6, replica: 4
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -91.971140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.971140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.971140 (E_RNA)
where:
Base-Base interactions energy: -37.580
where: short stacking energy: -29.370
Base-Backbone interact. energy: -0.262
local terms energy: -54.129303
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -9.508
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -100.376273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.376273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.376273 (E_RNA)
where:
Base-Base interactions energy: -44.064
where: short stacking energy: -41.598
Base-Backbone interact. energy: -0.517
local terms energy: -55.795324
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -9.785
flat angles C4'-P-C4' energy: -14.614
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -4.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -92.256565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.256565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.256565 (E_RNA)
where:
Base-Base interactions energy: -32.321
where: short stacking energy: -17.307
Base-Backbone interact. energy: -0.306
local terms energy: -59.629703
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -13.270
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: 2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -92.887006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.887006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.887006 (E_RNA)
where:
Base-Base interactions energy: -30.967
where: short stacking energy: -30.490
Base-Backbone interact. energy: -0.250
local terms energy: -61.669420
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -16.810
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -8.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -82.984284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.984284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.984284 (E_RNA)
where:
Base-Base interactions energy: -27.646
where: short stacking energy: -26.630
Base-Backbone interact. energy: -0.450
local terms energy: -54.888409
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -7.489
flat angles P-C4'-P energy: -7.195
tors. eta vs tors. theta energy: -7.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -252.836580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.836580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.836580 (E_RNA)
where:
Base-Base interactions energy: -176.543
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.668
local terms energy: -75.625706
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -12.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -218.878368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.878368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.878368 (E_RNA)
where:
Base-Base interactions energy: -138.708
where: short stacking energy: -75.652
Base-Backbone interact. energy: 0.197
local terms energy: -80.367912
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -205.043662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.043662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.043662 (E_RNA)
where:
Base-Base interactions energy: -120.075
where: short stacking energy: -55.398
Base-Backbone interact. energy: -0.136
local terms energy: -84.832088
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -16.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -201.674668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.674668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.674668 (E_RNA)
where:
Base-Base interactions energy: -134.632
where: short stacking energy: -63.073
Base-Backbone interact. energy: -0.120
local terms energy: -66.921960
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -7.881
tors. eta vs tors. theta energy: -13.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -183.680312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.680312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.680312 (E_RNA)
where:
Base-Base interactions energy: -112.341
where: short stacking energy: -58.677
Base-Backbone interact. energy: -0.157
local terms energy: -71.182241
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -15.064
flat angles P-C4'-P energy: -12.444
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: 6, replica: 8
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -117.791562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.791562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.791562 (E_RNA)
where:
Base-Base interactions energy: -44.412
where: short stacking energy: -39.642
Base-Backbone interact. energy: -0.107
local terms energy: -73.272539
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -10.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -96.402053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.402053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.402053 (E_RNA)
where:
Base-Base interactions energy: -46.194
where: short stacking energy: -42.382
Base-Backbone interact. energy: -0.906
local terms energy: -49.301762
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -16.169
flat angles C4'-P-C4' energy: -9.743
flat angles P-C4'-P energy: -6.886
tors. eta vs tors. theta energy: -6.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -97.711620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.711620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.711620 (E_RNA)
where:
Base-Base interactions energy: -41.914
where: short stacking energy: -31.875
Base-Backbone interact. energy: -0.057
local terms energy: -55.740688
where:
bonds (distance) C4'-P energy: -13.509
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -10.712
flat angles P-C4'-P energy: -5.677
tors. eta vs tors. theta energy: -8.903
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: 3
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -109.368223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.368223 (E_RNA)
where:
Base-Base interactions energy: -50.923
where: short stacking energy: -45.484
Base-Backbone interact. energy: -0.092
local terms energy: -58.353634
where:
bonds (distance) C4'-P energy: -10.810
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -8.946
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: 10, replica: 7
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -83.679412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.679412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.679412 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -22.521
Base-Backbone interact. energy: -0.170
local terms energy: -48.647696
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -7.087
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: -2.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -255.772271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.772271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.772271 (E_RNA)
where:
Base-Base interactions energy: -176.784
where: short stacking energy: -73.430
Base-Backbone interact. energy: -0.175
local terms energy: -78.813802
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -15.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -205.841346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.841346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.841346 (E_RNA)
where:
Base-Base interactions energy: -135.190
where: short stacking energy: -64.515
Base-Backbone interact. energy: -0.328
local terms energy: -70.323559
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -17.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -216.533788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.533788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.533788 (E_RNA)
where:
Base-Base interactions energy: -153.056
where: short stacking energy: -60.165
Base-Backbone interact. energy: 0.324
local terms energy: -63.801362
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -10.743
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -12.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -200.341671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.341671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.341671 (E_RNA)
where:
Base-Base interactions energy: -134.847
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.663
local terms energy: -64.831318
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -11.087
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -15.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -186.656299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.656299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.656299 (E_RNA)
where:
Base-Base interactions energy: -113.573
where: short stacking energy: -57.648
Base-Backbone interact. energy: -0.099
local terms energy: -72.984900
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: -14.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -110.801242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.801242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.801242 (E_RNA)
where:
Base-Base interactions energy: -56.335
where: short stacking energy: -42.747
Base-Backbone interact. energy: -0.033
local terms energy: -54.433227
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -7.686
flat angles P-C4'-P energy: -8.559
tors. eta vs tors. theta energy: -9.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -94.614409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.614409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.614409 (E_RNA)
where:
Base-Base interactions energy: -47.203
where: short stacking energy: -31.275
Base-Backbone interact. energy: -0.117
local terms energy: -47.294535
where:
bonds (distance) C4'-P energy: -9.177
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -9.317
tors. eta vs tors. theta energy: -1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -86.077355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.077355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.077355 (E_RNA)
where:
Base-Base interactions energy: -34.885
where: short stacking energy: -32.346
Base-Backbone interact. energy: -0.691
local terms energy: -50.501276
where:
bonds (distance) C4'-P energy: -11.069
bonds (distance) P-C4' energy: -12.787
flat angles C4'-P-C4' energy: -13.880
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -2.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -100.362132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.362132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.362132 (E_RNA)
where:
Base-Base interactions energy: -45.108
where: short stacking energy: -37.809
Base-Backbone interact. energy: -0.064
local terms energy: -55.190348
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -1.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -87.433654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.433654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.433654 (E_RNA)
where:
Base-Base interactions energy: -31.651
where: short stacking energy: -31.651
Base-Backbone interact. energy: -0.112
local terms energy: -55.670752
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -12.875
flat angles P-C4'-P energy: -6.259
tors. eta vs tors. theta energy: -5.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -255.307594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.307594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.307594 (E_RNA)
where:
Base-Base interactions energy: -177.858
where: short stacking energy: -69.926
Base-Backbone interact. energy: -0.183
local terms energy: -77.266818
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -15.194
tors. eta vs tors. theta energy: -14.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -218.760904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.760904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.760904 (E_RNA)
where:
Base-Base interactions energy: -141.974
where: short stacking energy: -69.454
Base-Backbone interact. energy: -0.328
local terms energy: -76.459267
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -15.931
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -16.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -214.018192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.018192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.018192 (E_RNA)
where:
Base-Base interactions energy: -134.677
where: short stacking energy: -50.194
Base-Backbone interact. energy: -0.296
local terms energy: -79.044435
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -16.669
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -204.222968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.222968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.222968 (E_RNA)
where:
Base-Base interactions energy: -127.219
where: short stacking energy: -58.877
Base-Backbone interact. energy: -0.846
local terms energy: -76.158520
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -193.610840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.610840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.610840 (E_RNA)
where:
Base-Base interactions energy: -124.347
where: short stacking energy: -62.756
Base-Backbone interact. energy: 1.103
local terms energy: -70.367004
where:
bonds (distance) C4'-P energy: -8.893
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -17.063
flat angles P-C4'-P energy: -10.407
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: 6, replica: 5
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -105.335106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.335106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.335106 (E_RNA)
where:
Base-Base interactions energy: -37.347
where: short stacking energy: -37.347
Base-Backbone interact. energy: -0.070
local terms energy: -67.918263
where:
bonds (distance) C4'-P energy: -11.326
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -10.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -91.702539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.702539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.702539 (E_RNA)
where:
Base-Base interactions energy: -34.586
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.183
local terms energy: -56.933571
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -11.552
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -104.216255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.216255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.216255 (E_RNA)
where:
Base-Base interactions energy: -49.423
where: short stacking energy: -44.055
Base-Backbone interact. energy: -0.019
local terms energy: -54.774213
where:
bonds (distance) C4'-P energy: -11.089
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -11.285
flat angles P-C4'-P energy: -5.151
tors. eta vs tors. theta energy: -9.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -92.717555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.717555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.717555 (E_RNA)
where:
Base-Base interactions energy: -31.121
where: short stacking energy: -28.809
Base-Backbone interact. energy: -0.268
local terms energy: -61.328519
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -4.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -95.112625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.112625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.112625 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.103
local terms energy: -53.603945
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -9.432
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -252.511715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.511715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.511715 (E_RNA)
where:
Base-Base interactions energy: -175.905
where: short stacking energy: -65.473
Base-Backbone interact. energy: 0.072
local terms energy: -76.678887
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -13.537
flat angles P-C4'-P energy: -15.367
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: 2, replica: 6
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -213.850220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.850220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.850220 (E_RNA)
where:
Base-Base interactions energy: -134.234
where: short stacking energy: -69.198
Base-Backbone interact. energy: -0.013
local terms energy: -79.602468
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -13.140
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -19.698
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: 10
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -205.500716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.500716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.500716 (E_RNA)
where:
Base-Base interactions energy: -128.943
where: short stacking energy: -64.186
Base-Backbone interact. energy: -0.305
local terms energy: -76.251913
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -9.632
tors. eta vs tors. theta energy: -18.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -203.358644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.358644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.358644 (E_RNA)
where:
Base-Base interactions energy: -135.113
where: short stacking energy: -59.905
Base-Backbone interact. energy: -0.331
local terms energy: -67.914308
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -4.650
tors. eta vs tors. theta energy: -21.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -193.344582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.344582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.344582 (E_RNA)
where:
Base-Base interactions energy: -110.203
where: short stacking energy: -65.875
Base-Backbone interact. energy: -0.090
local terms energy: -83.051340
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -14.709
tors. eta vs tors. theta energy: -22.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -99.220547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.220547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.220547 (E_RNA)
where:
Base-Base interactions energy: -47.443
where: short stacking energy: -32.292
Base-Backbone interact. energy: -0.151
local terms energy: -51.626322
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -6.522
tors. eta vs tors. theta energy: -0.615
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: 3
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -104.360144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.360144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.360144 (E_RNA)
where:
Base-Base interactions energy: -38.993
where: short stacking energy: -30.038
Base-Backbone interact. energy: -0.755
local terms energy: -64.611762
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -14.996
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -87.033399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.033399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.033399 (E_RNA)
where:
Base-Base interactions energy: -31.247
where: short stacking energy: -30.401
Base-Backbone interact. energy: 1.700
local terms energy: -57.486431
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -6.674
tors. eta vs tors. theta energy: -3.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -92.572746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.572746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.572746 (E_RNA)
where:
Base-Base interactions energy: -38.136
where: short stacking energy: -38.136
Base-Backbone interact. energy: -0.133
local terms energy: -54.303207
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -12.749
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -82.310839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.310839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.310839 (E_RNA)
where:
Base-Base interactions energy: -25.729
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.154
local terms energy: -56.428091
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -5.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -259.509659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.509659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.509659 (E_RNA)
where:
Base-Base interactions energy: -189.423
where: short stacking energy: -65.996
Base-Backbone interact. energy: -0.282
local terms energy: -69.804347
where:
bonds (distance) C4'-P energy: -16.939
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -12.735
flat angles P-C4'-P energy: -11.556
tors. eta vs tors. theta energy: -12.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -200.307530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.307530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.307530 (E_RNA)
where:
Base-Base interactions energy: -126.151
where: short stacking energy: -60.055
Base-Backbone interact. energy: -0.284
local terms energy: -73.872126
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -6.295
tors. eta vs tors. theta energy: -15.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -206.319033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.319033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.319033 (E_RNA)
where:
Base-Base interactions energy: -135.302
where: short stacking energy: -66.908
Base-Backbone interact. energy: -0.023
local terms energy: -70.993878
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -12.367
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -19.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -199.794446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.794446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.794446 (E_RNA)
where:
Base-Base interactions energy: -126.596
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.884
local terms energy: -72.314432
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -16.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -189.837550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.837550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.837550 (E_RNA)
where:
Base-Base interactions energy: -123.360
where: short stacking energy: -57.635
Base-Backbone interact. energy: -0.628
local terms energy: -65.849786
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -12.102
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: 6, replica: 3
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -99.903365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.903365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.903365 (E_RNA)
where:
Base-Base interactions energy: -42.076
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.137
local terms energy: -57.690058
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -13.758
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -1.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -121.995471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.995471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.995471 (E_RNA)
where:
Base-Base interactions energy: -56.523
where: short stacking energy: -31.960
Base-Backbone interact. energy: -0.084
local terms energy: -65.389182
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -8.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -89.373748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.373748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.373748 (E_RNA)
where:
Base-Base interactions energy: -33.515
where: short stacking energy: -33.515
Base-Backbone interact. energy: 0.981
local terms energy: -56.839284
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -12.778
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -3.981
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -88.293305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.293305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.293305 (E_RNA)
where:
Base-Base interactions energy: -35.022
where: short stacking energy: -35.388
Base-Backbone interact. energy: -0.121
local terms energy: -53.150259
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -13.223
flat angles C4'-P-C4' energy: -16.062
flat angles P-C4'-P energy: -4.937
tors. eta vs tors. theta energy: -4.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -87.306298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.306298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.306298 (E_RNA)
where:
Base-Base interactions energy: -32.780
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.157
local terms energy: -54.369208
where:
bonds (distance) C4'-P energy: -14.301
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -250.972882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.972882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.972882 (E_RNA)
where:
Base-Base interactions energy: -172.180
where: short stacking energy: -61.945
Base-Backbone interact. energy: -0.482
local terms energy: -78.311014
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -13.063
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: 10
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -195.305512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.305512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.305512 (E_RNA)
where:
Base-Base interactions energy: -128.294
where: short stacking energy: -57.955
Base-Backbone interact. energy: -0.495
local terms energy: -66.516466
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -10.076
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -12.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -220.085500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.085500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.085500 (E_RNA)
where:
Base-Base interactions energy: -141.653
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.723
local terms energy: -77.709367
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -10.333
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: 6
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -182.714256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.714256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.714256 (E_RNA)
where:
Base-Base interactions energy: -107.371
where: short stacking energy: -64.762
Base-Backbone interact. energy: -0.021
local terms energy: -75.322440
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -12.501
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: 5, replica: 1
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -197.845318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.845318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.845318 (E_RNA)
where:
Base-Base interactions energy: -118.972
where: short stacking energy: -59.208
Base-Backbone interact. energy: -2.174
local terms energy: -76.698517
where:
bonds (distance) C4'-P energy: -19.921
bonds (distance) P-C4' energy: -14.016
flat angles C4'-P-C4' energy: -16.558
flat angles P-C4'-P energy: -13.043
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: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -110.135249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.135249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.135249 (E_RNA)
where:
Base-Base interactions energy: -54.104
where: short stacking energy: -39.969
Base-Backbone interact. energy: -0.059
local terms energy: -55.972880
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -11.680
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -6.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -97.195898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.195898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.195898 (E_RNA)
where:
Base-Base interactions energy: -39.316
where: short stacking energy: -34.780
Base-Backbone interact. energy: -0.192
local terms energy: -57.688635
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -8.766
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: 8, replica: 5
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -112.544795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.544795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.544795 (E_RNA)
where:
Base-Base interactions energy: -62.887
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.560
local terms energy: -49.098370
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -3.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -82.012978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.012978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.012978 (E_RNA)
where:
Base-Base interactions energy: -28.468
where: short stacking energy: -17.634
Base-Backbone interact. energy: -0.076
local terms energy: -53.468139
where:
bonds (distance) C4'-P energy: -12.714
bonds (distance) P-C4' energy: -16.317
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -8.106
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: 10, replica: 7
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -92.210582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.210582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.210582 (E_RNA)
where:
Base-Base interactions energy: -35.140
where: short stacking energy: -30.383
Base-Backbone interact. energy: -1.141
local terms energy: -55.929638
where:
bonds (distance) C4'-P energy: -14.026
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -7.487
tors. eta vs tors. theta energy: -6.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -248.405257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.405257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.405257 (E_RNA)
where:
Base-Base interactions energy: -173.568
where: short stacking energy: -72.804
Base-Backbone interact. energy: -0.181
local terms energy: -74.656562
where:
bonds (distance) C4'-P energy: -14.250
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -15.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -221.754373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.754373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.754373 (E_RNA)
where:
Base-Base interactions energy: -142.095
where: short stacking energy: -62.229
Base-Backbone interact. energy: -0.080
local terms energy: -79.578467
where:
bonds (distance) C4'-P energy: -14.961
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -21.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -198.743252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.743252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.743252 (E_RNA)
where:
Base-Base interactions energy: -129.956
where: short stacking energy: -61.667
Base-Backbone interact. energy: -0.345
local terms energy: -68.441939
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -6.501
tors. eta vs tors. theta energy: -12.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -164.892562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.892562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.892562 (E_RNA)
where:
Base-Base interactions energy: -95.371
where: short stacking energy: -53.550
Base-Backbone interact. energy: 0.031
local terms energy: -69.552140
where:
bonds (distance) C4'-P energy: -14.033
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -11.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -210.644378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.644378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.644378 (E_RNA)
where:
Base-Base interactions energy: -136.318
where: short stacking energy: -59.975
Base-Backbone interact. energy: -0.130
local terms energy: -74.196910
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -13.177
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: 6, replica: 8
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -116.732106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.732106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.732106 (E_RNA)
where:
Base-Base interactions energy: -59.121
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.192
local terms energy: -57.419718
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -15.488
flat angles C4'-P-C4' energy: -11.330
flat angles P-C4'-P energy: -9.180
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: 7, replica: 3
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -92.217574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.217574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.217574 (E_RNA)
where:
Base-Base interactions energy: -39.235
where: short stacking energy: -39.235
Base-Backbone interact. energy: -0.255
local terms energy: -52.728479
where:
bonds (distance) C4'-P energy: -8.296
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -11.499
tors. eta vs tors. theta energy: -7.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -90.954938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.954938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.954938 (E_RNA)
where:
Base-Base interactions energy: -51.163
where: short stacking energy: -32.427
Base-Backbone interact. energy: 1.883
local terms energy: -41.674993
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -8.977
flat angles P-C4'-P energy: -1.406
tors. eta vs tors. theta energy: 0.509
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: 127
Temperature: 1.300000
Total energy: -149.202583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.202583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.202583 (E_RNA)
where:
Base-Base interactions energy: -88.271
where: short stacking energy: -36.315
Base-Backbone interact. energy: -0.064
local terms energy: -60.867592
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -16.891
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -9.748
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: 10, replica: 7
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -76.794003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.794003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.794003 (E_RNA)
where:
Base-Base interactions energy: -33.977
where: short stacking energy: -29.179
Base-Backbone interact. energy: -0.012
local terms energy: -42.804514
where:
bonds (distance) C4'-P energy: -10.146
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: 5.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -226.146407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.146407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.146407 (E_RNA)
where:
Base-Base interactions energy: -145.523
where: short stacking energy: -70.285
Base-Backbone interact. energy: -0.080
local terms energy: -80.544100
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -6.940
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -249.234691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.234691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.234691 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.223
local terms energy: -82.747338
where:
bonds (distance) C4'-P energy: -18.625
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -16.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -198.070492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.070492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.070492 (E_RNA)
where:
Base-Base interactions energy: -120.934
where: short stacking energy: -63.328
Base-Backbone interact. energy: -0.124
local terms energy: -77.012665
where:
bonds (distance) C4'-P energy: -17.941
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -10.119
tors. eta vs tors. theta energy: -20.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -185.793510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.793510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.793510 (E_RNA)
where:
Base-Base interactions energy: -121.911
where: short stacking energy: -57.838
Base-Backbone interact. energy: -0.115
local terms energy: -63.767709
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -12.155
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -15.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -185.993793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.993793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.993793 (E_RNA)
where:
Base-Base interactions energy: -118.490
where: short stacking energy: -52.791
Base-Backbone interact. energy: -0.134
local terms energy: -67.369970
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -13.115
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -14.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -115.970799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.970799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.970799 (E_RNA)
where:
Base-Base interactions energy: -55.222
where: short stacking energy: -32.782
Base-Backbone interact. energy: -0.727
local terms energy: -60.022159
where:
bonds (distance) C4'-P energy: -19.027
bonds (distance) P-C4' energy: -12.045
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -10.987
tors. eta vs tors. theta energy: -2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -161.704544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.704544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.704544 (E_RNA)
where:
Base-Base interactions energy: -108.637
where: short stacking energy: -53.074
Base-Backbone interact. energy: -1.380
local terms energy: -51.687533
where:
bonds (distance) C4'-P energy: -10.015
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -10.441
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -93.115473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.115473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.115473 (E_RNA)
where:
Base-Base interactions energy: -31.564
where: short stacking energy: -31.564
Base-Backbone interact. energy: -0.133
local terms energy: -61.419086
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -15.274
flat angles P-C4'-P energy: -11.214
tors. eta vs tors. theta energy: -6.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -152.904183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.904183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.904183 (E_RNA)
where:
Base-Base interactions energy: -102.156
where: short stacking energy: -35.317
Base-Backbone interact. energy: -0.371
local terms energy: -50.377671
where:
bonds (distance) C4'-P energy: -11.359
bonds (distance) P-C4' energy: -9.212
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -5.118
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -78.248326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.248326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.248326 (E_RNA)
where:
Base-Base interactions energy: -30.862
where: short stacking energy: -20.339
Base-Backbone interact. energy: -0.322
local terms energy: -47.064823
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -11.228
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: 3.872
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: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -211.619436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.619436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.619436 (E_RNA)
where:
Base-Base interactions energy: -135.164
where: short stacking energy: -68.106
Base-Backbone interact. energy: -0.709
local terms energy: -75.746027
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -244.276050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.276050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.276050 (E_RNA)
where:
Base-Base interactions energy: -170.657
where: short stacking energy: -63.540
Base-Backbone interact. energy: -0.306
local terms energy: -73.312608
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -14.166
tors. eta vs tors. theta energy: -14.362
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: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -201.716756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.716756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.716756 (E_RNA)
where:
Base-Base interactions energy: -125.487
where: short stacking energy: -67.558
Base-Backbone interact. energy: -0.003
local terms energy: -76.226611
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -11.281
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -18.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -210.054736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.054736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.054736 (E_RNA)
where:
Base-Base interactions energy: -134.190
where: short stacking energy: -71.419
Base-Backbone interact. energy: -0.062
local terms energy: -75.802698
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.820
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -17.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -181.869093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.869093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.869093 (E_RNA)
where:
Base-Base interactions energy: -103.471
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.056
local terms energy: -78.341847
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -190.791094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.791094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.791094 (E_RNA)
where:
Base-Base interactions energy: -126.560
where: short stacking energy: -60.030
Base-Backbone interact. energy: -1.795
local terms energy: -62.436570
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -8.256
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -7.718
tors. eta vs tors. theta energy: -14.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -101.588371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.588371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.588371 (E_RNA)
where:
Base-Base interactions energy: -43.421
where: short stacking energy: -32.807
Base-Backbone interact. energy: -0.439
local terms energy: -57.728933
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -9.169
flat angles P-C4'-P energy: -7.878
tors. eta vs tors. theta energy: -7.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -129.796555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.796555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.796555 (E_RNA)
where:
Base-Base interactions energy: -70.814
where: short stacking energy: -45.308
Base-Backbone interact. energy: -0.151
local terms energy: -58.832056
where:
bonds (distance) C4'-P energy: -8.627
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -96.650802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.650802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.650802 (E_RNA)
where:
Base-Base interactions energy: -34.749
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.262
local terms energy: -61.640664
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -13.572
tors. eta vs tors. theta energy: -2.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -79.036938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.036938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.036938 (E_RNA)
where:
Base-Base interactions energy: -28.656
where: short stacking energy: -28.540
Base-Backbone interact. energy: -0.173
local terms energy: -50.207907
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -8.607
tors. eta vs tors. theta energy: 1.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -249.102101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.102101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.102101 (E_RNA)
where:
Base-Base interactions energy: -180.102
where: short stacking energy: -60.492
Base-Backbone interact. energy: -1.093
local terms energy: -67.907789
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -11.843
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -9.771
tors. eta vs tors. theta energy: -13.094
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: 9
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -208.365676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.365676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.365676 (E_RNA)
where:
Base-Base interactions energy: -138.626
where: short stacking energy: -59.560
Base-Backbone interact. energy: -0.106
local terms energy: -69.633591
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -9.779
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -15.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -214.313943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.313943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.313943 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -71.382
Base-Backbone interact. energy: -0.414
local terms energy: -81.764403
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -14.178
tors. eta vs tors. theta energy: -21.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -206.875121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.875121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.875121 (E_RNA)
where:
Base-Base interactions energy: -140.872
where: short stacking energy: -62.647
Base-Backbone interact. energy: -0.407
local terms energy: -65.596201
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -9.831
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -183.644886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.644886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.644886 (E_RNA)
where:
Base-Base interactions energy: -109.766
where: short stacking energy: -53.828
Base-Backbone interact. energy: -0.069
local terms energy: -73.810025
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -19.964
flat angles P-C4'-P energy: -10.221
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: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -177.737397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.737397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.737397 (E_RNA)
where:
Base-Base interactions energy: -111.151
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.104
local terms energy: -66.482508
where:
bonds (distance) C4'-P energy: -19.528
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -3.373
tors. eta vs tors. theta energy: -13.026
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: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -100.028955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.028955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.028955 (E_RNA)
where:
Base-Base interactions energy: -52.881
where: short stacking energy: -36.710
Base-Backbone interact. energy: 0.099
local terms energy: -47.246853
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -7.953
flat angles P-C4'-P energy: -10.815
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: 8, replica: 8
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -113.393052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.393052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.393052 (E_RNA)
where:
Base-Base interactions energy: -47.916
where: short stacking energy: -33.483
Base-Backbone interact. energy: -0.901
local terms energy: -64.575898
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -15.479
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -9.100
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: 7
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -92.451603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.451603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.451603 (E_RNA)
where:
Base-Base interactions energy: -41.133
where: short stacking energy: -37.066
Base-Backbone interact. energy: 2.351
local terms energy: -53.669389
where:
bonds (distance) C4'-P energy: -10.698
bonds (distance) P-C4' energy: -13.952
flat angles C4'-P-C4' energy: -14.255
flat angles P-C4'-P energy: -8.958
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -96.876190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.876190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.876190 (E_RNA)
where:
Base-Base interactions energy: -43.502
where: short stacking energy: -28.367
Base-Backbone interact. energy: -0.310
local terms energy: -53.063733
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -10.421
flat angles C4'-P-C4' energy: -12.762
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -4.406
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: 131
Temperature: 0.900000
Total energy: -249.174617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.174617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.174617 (E_RNA)
where:
Base-Base interactions energy: -176.785
where: short stacking energy: -56.952
Base-Backbone interact. energy: -1.238
local terms energy: -71.151742
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -17.291
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -12.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -217.670043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.670043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.670043 (E_RNA)
where:
Base-Base interactions energy: -142.824
where: short stacking energy: -68.235
Base-Backbone interact. energy: -0.005
local terms energy: -74.841085
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -12.777
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -14.984
tors. eta vs tors. theta energy: -17.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -201.213131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.213131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.213131 (E_RNA)
where:
Base-Base interactions energy: -126.075
where: short stacking energy: -60.278
Base-Backbone interact. energy: -0.338
local terms energy: -74.800664
where:
bonds (distance) C4'-P energy: -14.394
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -16.356
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -17.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -202.472798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.472798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.472798 (E_RNA)
where:
Base-Base interactions energy: -130.027
where: short stacking energy: -63.162
Base-Backbone interact. energy: -0.063
local terms energy: -72.382359
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -12.769
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -17.019
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: 131
Temperature: 1.100000
Total energy: -174.788024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.788024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.788024 (E_RNA)
where:
Base-Base interactions energy: -110.290
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.425
local terms energy: -64.072707
where:
bonds (distance) C4'-P energy: -15.548
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -9.622
flat angles P-C4'-P energy: -8.370
tors. eta vs tors. theta energy: -13.062
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: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -101.201179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.201179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.201179 (E_RNA)
where:
Base-Base interactions energy: -41.737
where: short stacking energy: -32.678
Base-Backbone interact. energy: -0.224
local terms energy: -59.239922
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -14.559
flat angles P-C4'-P energy: -9.741
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -178.035320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.035320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.035320 (E_RNA)
where:
Base-Base interactions energy: -109.030
where: short stacking energy: -56.153
Base-Backbone interact. energy: -0.002
local terms energy: -69.002890
where:
bonds (distance) C4'-P energy: -8.867
bonds (distance) P-C4' energy: -18.113
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -9.283
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: 8, replica: 7
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -89.120362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.120362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.120362 (E_RNA)
where:
Base-Base interactions energy: -34.728
where: short stacking energy: -33.273
Base-Backbone interact. energy: 1.434
local terms energy: -55.826766
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -2.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -92.070429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.070429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.070429 (E_RNA)
where:
Base-Base interactions energy: -43.018
where: short stacking energy: -29.562
Base-Backbone interact. energy: -0.081
local terms energy: -48.971151
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -15.278
flat angles C4'-P-C4' energy: -6.036
flat angles P-C4'-P energy: -8.028
tors. eta vs tors. theta energy: -7.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -81.421473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.421473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.421473 (E_RNA)
where:
Base-Base interactions energy: -28.703
where: short stacking energy: -20.774
Base-Backbone interact. energy: -0.978
local terms energy: -51.740753
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -14.310
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: 1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -253.677863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.677863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.677863 (E_RNA)
where:
Base-Base interactions energy: -183.274
where: short stacking energy: -61.369
Base-Backbone interact. energy: -1.591
local terms energy: -68.813190
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -12.903
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -11.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -203.764381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.764381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.764381 (E_RNA)
where:
Base-Base interactions energy: -128.223
where: short stacking energy: -59.746
Base-Backbone interact. energy: -0.072
local terms energy: -75.469350
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -20.448
flat angles P-C4'-P energy: -7.839
tors. eta vs tors. theta energy: -17.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -205.229916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.229916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.229916 (E_RNA)
where:
Base-Base interactions energy: -132.164
where: short stacking energy: -61.833
Base-Backbone interact. energy: -0.082
local terms energy: -72.983775
where:
bonds (distance) C4'-P energy: -12.762
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.454
flat angles P-C4'-P energy: -13.465
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: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -192.838316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.838316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.838316 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -64.562
Base-Backbone interact. energy: 1.057
local terms energy: -78.499920
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -12.203
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -170.633347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.633347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.633347 (E_RNA)
where:
Base-Base interactions energy: -112.846
where: short stacking energy: -40.557
Base-Backbone interact. energy: -0.162
local terms energy: -57.625873
where:
bonds (distance) C4'-P energy: -15.055
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -7.747
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -120.498815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.498815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.498815 (E_RNA)
where:
Base-Base interactions energy: -54.328
where: short stacking energy: -42.521
Base-Backbone interact. energy: -0.046
local terms energy: -66.124790
where:
bonds (distance) C4'-P energy: -15.168
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -10.818
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: 7, replica: 4
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -189.894244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.894244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.894244 (E_RNA)
where:
Base-Base interactions energy: -120.737
where: short stacking energy: -55.478
Base-Backbone interact. energy: 1.978
local terms energy: -71.135360
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -15.760
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -6.878
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: 8, replica: 7
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -109.153646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.153646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.153646 (E_RNA)
where:
Base-Base interactions energy: -46.153
where: short stacking energy: -34.063
Base-Backbone interact. energy: -0.948
local terms energy: -62.053210
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -7.421
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: 132
Temperature: 1.300000
Total energy: -84.021108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.021108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.021108 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -31.125
Base-Backbone interact. energy: -0.352
local terms energy: -40.889250
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -9.442
flat angles P-C4'-P energy: -0.177
tors. eta vs tors. theta energy: 1.236
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: 132
Temperature: 1.350000
Total energy: -88.765308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.765308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.765308 (E_RNA)
where:
Base-Base interactions energy: -39.084
where: short stacking energy: -33.748
Base-Backbone interact. energy: -0.017
local terms energy: -49.664124
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -11.335
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -8.911
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: 1, replica: 2
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -259.265405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.265405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.265405 (E_RNA)
where:
Base-Base interactions energy: -181.146
where: short stacking energy: -64.119
Base-Backbone interact. energy: -0.268
local terms energy: -77.852320
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -216.066852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.066852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.066852 (E_RNA)
where:
Base-Base interactions energy: -133.745
where: short stacking energy: -75.537
Base-Backbone interact. energy: -0.060
local terms energy: -82.261552
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -206.505617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.505617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.505617 (E_RNA)
where:
Base-Base interactions energy: -127.014
where: short stacking energy: -65.005
Base-Backbone interact. energy: -0.478
local terms energy: -79.014082
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -16.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -193.931979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.931979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.931979 (E_RNA)
where:
Base-Base interactions energy: -118.322
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.653
local terms energy: -74.957247
where:
bonds (distance) C4'-P energy: -15.739
bonds (distance) P-C4' energy: -13.826
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -17.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -173.819345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.819345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.819345 (E_RNA)
where:
Base-Base interactions energy: -116.805
where: short stacking energy: -49.569
Base-Backbone interact. energy: -0.205
local terms energy: -56.809121
where:
bonds (distance) C4'-P energy: -12.579
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -10.827
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -189.386540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.386540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.386540 (E_RNA)
where:
Base-Base interactions energy: -116.146
where: short stacking energy: -63.049
Base-Backbone interact. energy: -0.148
local terms energy: -73.092517
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -13.368
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -17.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -102.497687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.497687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.497687 (E_RNA)
where:
Base-Base interactions energy: -45.082
where: short stacking energy: -38.621
Base-Backbone interact. energy: -1.631
local terms energy: -55.785432
where:
bonds (distance) C4'-P energy: -9.992
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -10.003
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -99.490470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.490470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.490470 (E_RNA)
where:
Base-Base interactions energy: -46.754
where: short stacking energy: -33.804
Base-Backbone interact. energy: -1.382
local terms energy: -51.354750
where:
bonds (distance) C4'-P energy: -12.262
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -2.086
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -104.106585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.106585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.106585 (E_RNA)
where:
Base-Base interactions energy: -45.340
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.116
local terms energy: -58.650467
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -4.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -80.675829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.675829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.675829 (E_RNA)
where:
Base-Base interactions energy: -35.663
where: short stacking energy: -27.913
Base-Backbone interact. energy: -0.786
local terms energy: -44.227229
where:
bonds (distance) C4'-P energy: -9.839
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: 3.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -255.936968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.936968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.936968 (E_RNA)
where:
Base-Base interactions energy: -179.737
where: short stacking energy: -68.961
Base-Backbone interact. energy: -0.299
local terms energy: -75.901314
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -12.173
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -10.986
tors. eta vs tors. theta energy: -16.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -207.550328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.550328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.550328 (E_RNA)
where:
Base-Base interactions energy: -133.821
where: short stacking energy: -73.741
Base-Backbone interact. energy: -0.025
local terms energy: -73.704939
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -12.817
tors. eta vs tors. theta energy: -17.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -201.378929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.378929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.378929 (E_RNA)
where:
Base-Base interactions energy: -123.547
where: short stacking energy: -61.036
Base-Backbone interact. energy: -0.122
local terms energy: -77.710233
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -18.444
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -14.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -198.092882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.092882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.092882 (E_RNA)
where:
Base-Base interactions energy: -127.996
where: short stacking energy: -63.674
Base-Backbone interact. energy: -0.078
local terms energy: -70.019659
where:
bonds (distance) C4'-P energy: -11.404
bonds (distance) P-C4' energy: -15.270
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -14.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -196.550967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.550967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.550967 (E_RNA)
where:
Base-Base interactions energy: -117.726
where: short stacking energy: -63.231
Base-Backbone interact. energy: -0.102
local terms energy: -78.722419
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -22.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -148.809440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.809440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.809440 (E_RNA)
where:
Base-Base interactions energy: -85.099
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.504
local terms energy: -63.205865
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -12.352
tors. eta vs tors. theta energy: -9.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -117.764806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.764806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.764806 (E_RNA)
where:
Base-Base interactions energy: -52.701
where: short stacking energy: -30.103
Base-Backbone interact. energy: 0.152
local terms energy: -65.215969
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -8.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -97.309268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.309268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.309268 (E_RNA)
where:
Base-Base interactions energy: -34.007
where: short stacking energy: -34.607
Base-Backbone interact. energy: -0.102
local terms energy: -63.199780
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -16.474
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -93.440225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.440225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.440225 (E_RNA)
where:
Base-Base interactions energy: -38.905
where: short stacking energy: -38.040
Base-Backbone interact. energy: -0.096
local terms energy: -54.439074
where:
bonds (distance) C4'-P energy: -5.256
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -84.137164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.137164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.137164 (E_RNA)
where:
Base-Base interactions energy: -31.052
where: short stacking energy: -11.418
Base-Backbone interact. energy: -0.134
local terms energy: -52.951293
where:
bonds (distance) C4'-P energy: -12.599
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -8.369
tors. eta vs tors. theta energy: 0.301
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: 1, replica: 2
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -250.555398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.555398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.555398 (E_RNA)
where:
Base-Base interactions energy: -177.494
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.046
local terms energy: -73.015851
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -10.456
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: 135
Temperature: 0.950000
Total energy: -218.718616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.718616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.718616 (E_RNA)
where:
Base-Base interactions energy: -139.383
where: short stacking energy: -73.144
Base-Backbone interact. energy: -0.248
local terms energy: -79.086760
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.141
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -206.388767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.388767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.388767 (E_RNA)
where:
Base-Base interactions energy: -118.884
where: short stacking energy: -58.045
Base-Backbone interact. energy: -0.218
local terms energy: -87.286976
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -18.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -202.866150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.866150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.866150 (E_RNA)
where:
Base-Base interactions energy: -130.443
where: short stacking energy: -61.640
Base-Backbone interact. energy: -0.028
local terms energy: -72.394669
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -11.942
tors. eta vs tors. theta energy: -15.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -191.526065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.526065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.526065 (E_RNA)
where:
Base-Base interactions energy: -120.688
where: short stacking energy: -52.834
Base-Backbone interact. energy: 0.582
local terms energy: -71.419810
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -10.245
flat angles C4'-P-C4' energy: -16.714
flat angles P-C4'-P energy: -9.580
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -102.797924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.797924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.797924 (E_RNA)
where:
Base-Base interactions energy: -42.563
where: short stacking energy: -33.845
Base-Backbone interact. energy: 0.823
local terms energy: -61.058507
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -1.167
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: 6
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -152.851803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.851803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.851803 (E_RNA)
where:
Base-Base interactions energy: -84.916
where: short stacking energy: -52.174
Base-Backbone interact. energy: -0.068
local terms energy: -67.867670
where:
bonds (distance) C4'-P energy: -12.051
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -14.210
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -13.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -101.018599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.018599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.018599 (E_RNA)
where:
Base-Base interactions energy: -42.615
where: short stacking energy: -41.494
Base-Backbone interact. energy: -0.170
local terms energy: -58.233530
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -8.851
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: 5
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -80.665400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.665400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.665400 (E_RNA)
where:
Base-Base interactions energy: -39.053
where: short stacking energy: -16.996
Base-Backbone interact. energy: 0.525
local terms energy: -42.137610
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -11.133
flat angles C4'-P-C4' energy: -12.146
flat angles P-C4'-P energy: -6.038
tors. eta vs tors. theta energy: 3.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -85.753845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753845 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -23.646
Base-Backbone interact. energy: -0.454
local terms energy: -52.679489
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -15.624
flat angles P-C4'-P energy: -8.108
tors. eta vs tors. theta energy: -0.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -246.850452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.850452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.850452 (E_RNA)
where:
Base-Base interactions energy: -172.623
where: short stacking energy: -59.022
Base-Backbone interact. energy: -1.042
local terms energy: -73.186252
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -211.378272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.378272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.378272 (E_RNA)
where:
Base-Base interactions energy: -130.665
where: short stacking energy: -74.211
Base-Backbone interact. energy: -0.001
local terms energy: -80.711919
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -12.108
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -20.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -200.577079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.577079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.577079 (E_RNA)
where:
Base-Base interactions energy: -116.869
where: short stacking energy: -70.201
Base-Backbone interact. energy: -0.002
local terms energy: -83.706046
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -16.365
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -21.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -204.958226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.958226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.958226 (E_RNA)
where:
Base-Base interactions energy: -139.092
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.103
local terms energy: -65.763287
where:
bonds (distance) C4'-P energy: -12.091
bonds (distance) P-C4' energy: -14.676
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -7.103
tors. eta vs tors. theta energy: -18.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -170.880734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.880734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.880734 (E_RNA)
where:
Base-Base interactions energy: -98.616
where: short stacking energy: -52.654
Base-Backbone interact. energy: -0.022
local terms energy: -72.242488
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -19.064
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -10.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -101.014995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.014995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.014995 (E_RNA)
where:
Base-Base interactions energy: -41.707
where: short stacking energy: -40.017
Base-Backbone interact. energy: -0.310
local terms energy: -58.998527
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -1.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -139.467470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.467470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.467470 (E_RNA)
where:
Base-Base interactions energy: -90.080
where: short stacking energy: -39.053
Base-Backbone interact. energy: -0.190
local terms energy: -49.197358
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -1.825
tors. eta vs tors. theta energy: -1.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -84.780921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.780921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.780921 (E_RNA)
where:
Base-Base interactions energy: -35.768
where: short stacking energy: -35.768
Base-Backbone interact. energy: 1.767
local terms energy: -50.779894
where:
bonds (distance) C4'-P energy: -11.865
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -11.464
flat angles P-C4'-P energy: -8.140
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -87.303159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.303159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.303159 (E_RNA)
where:
Base-Base interactions energy: -44.720
where: short stacking energy: -37.066
Base-Backbone interact. energy: -0.062
local terms energy: -42.520631
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -10.625
flat angles C4'-P-C4' energy: -7.687
flat angles P-C4'-P energy: -6.477
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -85.470972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.470972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.470972 (E_RNA)
where:
Base-Base interactions energy: -34.097
where: short stacking energy: -24.039
Base-Backbone interact. energy: -1.002
local terms energy: -50.371308
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -6.551
tors. eta vs tors. theta energy: -0.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -254.621417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.621417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.621417 (E_RNA)
where:
Base-Base interactions energy: -184.299
where: short stacking energy: -69.033
Base-Backbone interact. energy: 0.592
local terms energy: -70.915195
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -14.325
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -12.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -201.265134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.265134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.265134 (E_RNA)
where:
Base-Base interactions energy: -124.435
where: short stacking energy: -69.130
Base-Backbone interact. energy: -0.020
local terms energy: -76.810309
where:
bonds (distance) C4'-P energy: -12.044
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.747
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: 10
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -206.410875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.410875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.410875 (E_RNA)
where:
Base-Base interactions energy: -123.796
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.021
local terms energy: -82.593875
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -18.630
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.292
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: 4, replica: 4
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -195.691112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.691112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.691112 (E_RNA)
where:
Base-Base interactions energy: -116.838
where: short stacking energy: -51.639
Base-Backbone interact. energy: -0.014
local terms energy: -78.839423
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -17.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -178.694223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.694223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.694223 (E_RNA)
where:
Base-Base interactions energy: -106.444
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.107
local terms energy: -72.143412
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -14.165
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -14.271
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -135.947441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.947441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.947441 (E_RNA)
where:
Base-Base interactions energy: -65.795
where: short stacking energy: -44.286
Base-Backbone interact. energy: -0.078
local terms energy: -70.074104
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -9.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -97.314738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.314738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.314738 (E_RNA)
where:
Base-Base interactions energy: -47.193
where: short stacking energy: -46.855
Base-Backbone interact. energy: -0.289
local terms energy: -49.833401
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -12.421
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -8.225
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: 3
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -89.785113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.785113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.785113 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -27.469
Base-Backbone interact. energy: -0.298
local terms energy: -52.641686
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -11.956
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -6.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -91.298684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.298684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.298684 (E_RNA)
where:
Base-Base interactions energy: -41.234
where: short stacking energy: -25.897
Base-Backbone interact. energy: -0.058
local terms energy: -50.006962
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -11.894
flat angles P-C4'-P energy: -3.238
tors. eta vs tors. theta energy: -4.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -82.372496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.372496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.372496 (E_RNA)
where:
Base-Base interactions energy: -30.453
where: short stacking energy: -28.109
Base-Backbone interact. energy: -0.391
local terms energy: -51.528473
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -12.204
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -1.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -249.596487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.596487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.596487 (E_RNA)
where:
Base-Base interactions energy: -176.801
where: short stacking energy: -64.474
Base-Backbone interact. energy: -0.301
local terms energy: -72.494013
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -12.668
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -204.197399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.197399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.197399 (E_RNA)
where:
Base-Base interactions energy: -127.189
where: short stacking energy: -64.470
Base-Backbone interact. energy: -0.004
local terms energy: -77.004418
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: -17.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -205.701593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.701593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.701593 (E_RNA)
where:
Base-Base interactions energy: -125.750
where: short stacking energy: -67.328
Base-Backbone interact. energy: -0.271
local terms energy: -79.680464
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.512
flat angles C4'-P-C4' energy: -17.996
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -18.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -210.979439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.979439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.979439 (E_RNA)
where:
Base-Base interactions energy: -131.400
where: short stacking energy: -56.528
Base-Backbone interact. energy: -1.014
local terms energy: -78.565848
where:
bonds (distance) C4'-P energy: -13.867
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -11.934
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: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -159.749456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.749456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.749456 (E_RNA)
where:
Base-Base interactions energy: -98.377
where: short stacking energy: -48.545
Base-Backbone interact. energy: 0.725
local terms energy: -62.097684
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.402
flat angles C4'-P-C4' energy: -15.105
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -7.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -161.972762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.972762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.972762 (E_RNA)
where:
Base-Base interactions energy: -95.044
where: short stacking energy: -49.210
Base-Backbone interact. energy: -0.116
local terms energy: -66.812780
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -13.523
flat angles C4'-P-C4' energy: -12.253
flat angles P-C4'-P energy: -12.277
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: 138
Temperature: 1.200000
Total energy: -110.631395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.631395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.631395 (E_RNA)
where:
Base-Base interactions energy: -55.044
where: short stacking energy: -40.607
Base-Backbone interact. energy: -0.716
local terms energy: -54.870749
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -90.698061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.698061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.698061 (E_RNA)
where:
Base-Base interactions energy: -33.860
where: short stacking energy: -25.844
Base-Backbone interact. energy: -0.131
local terms energy: -56.707499
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: 2.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -89.544576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.544576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.544576 (E_RNA)
where:
Base-Base interactions energy: -34.852
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.339
local terms energy: -54.354061
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -5.692
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -84.495614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.495614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.495614 (E_RNA)
where:
Base-Base interactions energy: -36.017
where: short stacking energy: -31.418
Base-Backbone interact. energy: -0.227
local terms energy: -48.251167
where:
bonds (distance) C4'-P energy: -11.224
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -0.752
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -259.593713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.593713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.593713 (E_RNA)
where:
Base-Base interactions energy: -184.915
where: short stacking energy: -67.115
Base-Backbone interact. energy: -1.230
local terms energy: -73.448118
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -8.046
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: 2, replica: 4
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -203.047963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.047963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.047963 (E_RNA)
where:
Base-Base interactions energy: -126.630
where: short stacking energy: -67.372
Base-Backbone interact. energy: -1.314
local terms energy: -75.104446
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.720
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -13.729
tors. eta vs tors. theta energy: -18.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -196.249107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.249107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.249107 (E_RNA)
where:
Base-Base interactions energy: -116.268
where: short stacking energy: -64.798
Base-Backbone interact. energy: -0.007
local terms energy: -79.973598
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -20.036
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.304
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: 4, replica: 10
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -213.742508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.742508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.742508 (E_RNA)
where:
Base-Base interactions energy: -130.708
where: short stacking energy: -55.020
Base-Backbone interact. energy: -1.197
local terms energy: -81.837631
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -18.025
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -18.075
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: 139
Temperature: 1.100000
Total energy: -167.604002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.604002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.604002 (E_RNA)
where:
Base-Base interactions energy: -101.375
where: short stacking energy: -59.488
Base-Backbone interact. energy: -0.262
local terms energy: -65.967021
where:
bonds (distance) C4'-P energy: -11.636
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.772
tors. eta vs tors. theta energy: -13.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -161.500950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.500950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.500950 (E_RNA)
where:
Base-Base interactions energy: -90.448
where: short stacking energy: -48.873
Base-Backbone interact. energy: -0.136
local terms energy: -70.917140
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -91.132702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.132702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.132702 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -33.618
Base-Backbone interact. energy: -0.997
local terms energy: -53.683070
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -7.886
tors. eta vs tors. theta energy: 1.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -114.255692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.255692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.255692 (E_RNA)
where:
Base-Base interactions energy: -52.314
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.225
local terms energy: -61.716523
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.601
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: 9, replica: 7
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -88.598100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.598100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.598100 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -33.869
Base-Backbone interact. energy: -0.147
local terms energy: -54.781188
where:
bonds (distance) C4'-P energy: -13.942
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -12.043
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -3.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -84.272305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.272305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.272305 (E_RNA)
where:
Base-Base interactions energy: -31.367
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.244
local terms energy: -52.661179
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -14.255
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -4.867
tors. eta vs tors. theta energy: -7.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -246.436907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.436907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.436907 (E_RNA)
where:
Base-Base interactions energy: -169.231
where: short stacking energy: -66.701
Base-Backbone interact. energy: -0.940
local terms energy: -76.266028
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -16.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -203.015555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.015555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.015555 (E_RNA)
where:
Base-Base interactions energy: -123.296
where: short stacking energy: -64.451
Base-Backbone interact. energy: -0.042
local terms energy: -79.677667
where:
bonds (distance) C4'-P energy: -17.366
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -8.979
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: 3, replica: 10
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -220.077379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.077379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.077379 (E_RNA)
where:
Base-Base interactions energy: -134.220
where: short stacking energy: -77.791
Base-Backbone interact. energy: -0.656
local terms energy: -85.201824
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -12.252
tors. eta vs tors. theta energy: -22.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -177.968501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.968501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.968501 (E_RNA)
where:
Base-Base interactions energy: -111.502
where: short stacking energy: -54.185
Base-Backbone interact. energy: -0.134
local terms energy: -66.332575
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -14.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -187.206992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.206992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.206992 (E_RNA)
where:
Base-Base interactions energy: -107.958
where: short stacking energy: -65.248
Base-Backbone interact. energy: -0.311
local terms energy: -78.937879
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -21.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -153.622740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.622740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.622740 (E_RNA)
where:
Base-Base interactions energy: -103.982
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.106
local terms energy: -49.534612
where:
bonds (distance) C4'-P energy: -10.259
bonds (distance) P-C4' energy: -13.895
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -5.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -90.393544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.393544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.393544 (E_RNA)
where:
Base-Base interactions energy: -43.746
where: short stacking energy: -19.651
Base-Backbone interact. energy: -0.428
local terms energy: -46.219484
where:
bonds (distance) C4'-P energy: -9.547
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -12.053
flat angles P-C4'-P energy: -9.205
tors. eta vs tors. theta energy: 2.817
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: 8
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -122.579974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.579974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.579974 (E_RNA)
where:
Base-Base interactions energy: -67.796
where: short stacking energy: -39.261
Base-Backbone interact. energy: -0.480
local terms energy: -54.304054
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -8.081
flat angles P-C4'-P energy: -8.472
tors. eta vs tors. theta energy: -7.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -96.747591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.747591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.747591 (E_RNA)
where:
Base-Base interactions energy: -37.940
where: short stacking energy: -34.703
Base-Backbone interact. energy: 0.748
local terms energy: -59.556101
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -1.859
tors. eta vs tors. theta energy: -11.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -81.852335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.852335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.852335 (E_RNA)
where:
Base-Base interactions energy: -31.380
where: short stacking energy: -29.117
Base-Backbone interact. energy: -0.095
local terms energy: -50.377432
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -4.154
tors. eta vs tors. theta energy: -1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -253.004584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.004584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.004584 (E_RNA)
where:
Base-Base interactions energy: -171.305
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.543
local terms energy: -81.156223
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -15.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -218.407777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.407777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.407777 (E_RNA)
where:
Base-Base interactions energy: -134.443
where: short stacking energy: -74.141
Base-Backbone interact. energy: -0.001
local terms energy: -83.964323
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -208.101257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.101257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.101257 (E_RNA)
where:
Base-Base interactions energy: -130.527
where: short stacking energy: -68.292
Base-Backbone interact. energy: -1.903
local terms energy: -75.670888
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -12.297
tors. eta vs tors. theta energy: -17.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -202.561153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.561153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.561153 (E_RNA)
where:
Base-Base interactions energy: -124.158
where: short stacking energy: -64.899
Base-Backbone interact. energy: -0.723
local terms energy: -77.680222
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -17.108
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -19.227
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: 5, replica: 9
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -180.431726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.431726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.431726 (E_RNA)
where:
Base-Base interactions energy: -113.570
where: short stacking energy: -49.459
Base-Backbone interact. energy: -0.207
local terms energy: -66.654984
where:
bonds (distance) C4'-P energy: -15.486
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -12.404
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -159.246031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.246031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.246031 (E_RNA)
where:
Base-Base interactions energy: -100.160
where: short stacking energy: -44.211
Base-Backbone interact. energy: 0.782
local terms energy: -59.867746
where:
bonds (distance) C4'-P energy: -2.176
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -14.568
tors. eta vs tors. theta energy: -9.138
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: 141
Temperature: 1.200000
Total energy: -110.003194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.003194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.003194 (E_RNA)
where:
Base-Base interactions energy: -63.989
where: short stacking energy: -37.493
Base-Backbone interact. energy: 0.474
local terms energy: -46.487976
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -16.150
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -3.676
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: 8, replica: 5
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -89.542739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.542739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.542739 (E_RNA)
where:
Base-Base interactions energy: -38.431
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.005
local terms energy: -51.107359
where:
bonds (distance) C4'-P energy: -8.345
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -11.826
flat angles P-C4'-P energy: -3.452
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: 9, replica: 8
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -92.416814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.416814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.416814 (E_RNA)
where:
Base-Base interactions energy: -34.639
where: short stacking energy: -31.667
Base-Backbone interact. energy: -0.235
local terms energy: -57.542927
where:
bonds (distance) C4'-P energy: -10.221
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -14.447
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -8.526
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: 7
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -91.310970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.310970 (E_RNA)
where:
Base-Base interactions energy: -40.643
where: short stacking energy: -23.635
Base-Backbone interact. energy: 0.272
local terms energy: -50.940502
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -13.368
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: 1, replica: 2
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -237.579056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.579056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.579056 (E_RNA)
where:
Base-Base interactions energy: -174.449
where: short stacking energy: -69.593
Base-Backbone interact. energy: 0.486
local terms energy: -63.615966
where:
bonds (distance) C4'-P energy: -12.452
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -14.634
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -11.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -207.935806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.935806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.935806 (E_RNA)
where:
Base-Base interactions energy: -122.554
where: short stacking energy: -68.946
Base-Backbone interact. energy: -0.751
local terms energy: -84.631130
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -21.387
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: 6
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -188.098604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.098604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.098604 (E_RNA)
where:
Base-Base interactions energy: -112.607
where: short stacking energy: -50.864
Base-Backbone interact. energy: -0.717
local terms energy: -74.775056
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.259
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -17.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -213.625153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.625153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.625153 (E_RNA)
where:
Base-Base interactions energy: -135.922
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.050
local terms energy: -77.653319
where:
bonds (distance) C4'-P energy: -18.339
bonds (distance) P-C4' energy: -13.336
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -9.114
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: 5, replica: 9
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -186.313024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.313024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.313024 (E_RNA)
where:
Base-Base interactions energy: -107.876
where: short stacking energy: -66.024
Base-Backbone interact. energy: -0.003
local terms energy: -78.433694
where:
bonds (distance) C4'-P energy: -13.519
bonds (distance) P-C4' energy: -15.426
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -18.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -158.660519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.660519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.660519 (E_RNA)
where:
Base-Base interactions energy: -101.347
where: short stacking energy: -50.195
Base-Backbone interact. energy: 1.044
local terms energy: -58.357481
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -5.263
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -101.390359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.390359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.390359 (E_RNA)
where:
Base-Base interactions energy: -41.258
where: short stacking energy: -32.750
Base-Backbone interact. energy: -0.151
local terms energy: -59.982005
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -3.633
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: 3
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -105.692486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.692486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.692486 (E_RNA)
where:
Base-Base interactions energy: -45.130
where: short stacking energy: -35.164
Base-Backbone interact. energy: -0.082
local terms energy: -60.480411
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -15.952
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -5.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -100.188229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.188229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.188229 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -39.478
Base-Backbone interact. energy: -1.033
local terms energy: -58.704766
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -15.783
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -8.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -90.261629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.261629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.261629 (E_RNA)
where:
Base-Base interactions energy: -36.022
where: short stacking energy: -24.023
Base-Backbone interact. energy: -0.207
local terms energy: -54.032631
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -12.773
flat angles P-C4'-P energy: -9.116
tors. eta vs tors. theta energy: 0.874
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: 1, replica: 2
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -244.515811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.515811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.515811 (E_RNA)
where:
Base-Base interactions energy: -166.494
where: short stacking energy: -65.942
Base-Backbone interact. energy: -0.372
local terms energy: -77.648962
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -14.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -198.204182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.204182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.204182 (E_RNA)
where:
Base-Base interactions energy: -124.123
where: short stacking energy: -72.814
Base-Backbone interact. energy: -0.056
local terms energy: -74.025200
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -195.602361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.602361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.602361 (E_RNA)
where:
Base-Base interactions energy: -118.611
where: short stacking energy: -68.329
Base-Backbone interact. energy: 0.014
local terms energy: -77.005016
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -204.433214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.433214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.433214 (E_RNA)
where:
Base-Base interactions energy: -130.572
where: short stacking energy: -66.921
Base-Backbone interact. energy: -0.140
local terms energy: -73.721965
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -5.695
tors. eta vs tors. theta energy: -18.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -175.626140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.626140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.626140 (E_RNA)
where:
Base-Base interactions energy: -107.073
where: short stacking energy: -59.884
Base-Backbone interact. energy: -0.160
local terms energy: -68.392381
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -157.701150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.701150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.701150 (E_RNA)
where:
Base-Base interactions energy: -95.261
where: short stacking energy: -45.762
Base-Backbone interact. energy: -0.130
local terms energy: -62.309677
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -12.866
flat angles P-C4'-P energy: -5.356
tors. eta vs tors. theta energy: -15.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -105.883936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.883936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.883936 (E_RNA)
where:
Base-Base interactions energy: -46.939
where: short stacking energy: -45.783
Base-Backbone interact. energy: -0.028
local terms energy: -58.917342
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -4.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -103.375779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.375779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.375779 (E_RNA)
where:
Base-Base interactions energy: -42.269
where: short stacking energy: -29.248
Base-Backbone interact. energy: 0.012
local terms energy: -61.119003
where:
bonds (distance) C4'-P energy: -12.849
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -3.089
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: 3
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -98.728299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.728299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.728299 (E_RNA)
where:
Base-Base interactions energy: -39.434
where: short stacking energy: -39.434
Base-Backbone interact. energy: 0.008
local terms energy: -59.302110
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -5.522
tors. eta vs tors. theta energy: -9.935
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: 7
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -89.363441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.363441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.363441 (E_RNA)
where:
Base-Base interactions energy: -43.831
where: short stacking energy: -39.083
Base-Backbone interact. energy: -0.205
local terms energy: -45.327867
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -10.927
flat angles P-C4'-P energy: -7.256
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: 1, replica: 2
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -254.197395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.197395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.197395 (E_RNA)
where:
Base-Base interactions energy: -180.952
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.125
local terms energy: -73.120123
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -11.043
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: 2, replica: 10
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -205.904736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.904736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.904736 (E_RNA)
where:
Base-Base interactions energy: -138.463
where: short stacking energy: -61.723
Base-Backbone interact. energy: -0.214
local terms energy: -67.226933
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -194.552902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.552902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.552902 (E_RNA)
where:
Base-Base interactions energy: -117.631
where: short stacking energy: -65.013
Base-Backbone interact. energy: -0.128
local terms energy: -76.793393
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.260
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.702
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -189.372534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.372534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.372534 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -62.526
Base-Backbone interact. energy: -0.004
local terms energy: -72.320536
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -7.348
tors. eta vs tors. theta energy: -16.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -162.463891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.463891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.463891 (E_RNA)
where:
Base-Base interactions energy: -98.384
where: short stacking energy: -47.041
Base-Backbone interact. energy: -0.361
local terms energy: -63.718190
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -15.374
flat angles P-C4'-P energy: -6.678
tors. eta vs tors. theta energy: -6.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -171.190763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.190763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.190763 (E_RNA)
where:
Base-Base interactions energy: -96.248
where: short stacking energy: -52.686
Base-Backbone interact. energy: 1.339
local terms energy: -76.281768
where:
bonds (distance) C4'-P energy: -15.027
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -13.386
tors. eta vs tors. theta energy: -16.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -103.720952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.720952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.720952 (E_RNA)
where:
Base-Base interactions energy: -45.381
where: short stacking energy: -31.981
Base-Backbone interact. energy: 1.022
local terms energy: -59.362048
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -12.514
flat angles P-C4'-P energy: -13.716
tors. eta vs tors. theta energy: -2.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -91.498609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.498609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.498609 (E_RNA)
where:
Base-Base interactions energy: -40.964
where: short stacking energy: -39.842
Base-Backbone interact. energy: -0.234
local terms energy: -50.301038
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -0.746
tors. eta vs tors. theta energy: -5.122
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: 9, replica: 7
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -87.321551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.321551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.321551 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -24.236
Base-Backbone interact. energy: -0.007
local terms energy: -54.773824
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -7.456
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: 10, replica: 3
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -90.296881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.296881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.296881 (E_RNA)
where:
Base-Base interactions energy: -52.366
where: short stacking energy: -30.555
Base-Backbone interact. energy: 1.935
local terms energy: -39.865861
where:
bonds (distance) C4'-P energy: -10.381
bonds (distance) P-C4' energy: -9.574
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -4.646
tors. eta vs tors. theta energy: -1.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -240.914597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.914597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.914597 (E_RNA)
where:
Base-Base interactions energy: -170.522
where: short stacking energy: -64.826
Base-Backbone interact. energy: -1.718
local terms energy: -68.675295
where:
bonds (distance) C4'-P energy: -11.512
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -8.806
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: 2, replica: 6
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -210.077336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.077336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.077336 (E_RNA)
where:
Base-Base interactions energy: -135.652
where: short stacking energy: -64.776
Base-Backbone interact. energy: -0.017
local terms energy: -74.409158
where:
bonds (distance) C4'-P energy: -13.644
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -8.567
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -200.424222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.424222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.424222 (E_RNA)
where:
Base-Base interactions energy: -132.374
where: short stacking energy: -57.778
Base-Backbone interact. energy: -0.363
local terms energy: -67.686383
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -9.696
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -20.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -179.387702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.387702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.387702 (E_RNA)
where:
Base-Base interactions energy: -116.810
where: short stacking energy: -54.714
Base-Backbone interact. energy: -0.143
local terms energy: -62.434412
where:
bonds (distance) C4'-P energy: -11.418
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -10.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -174.893387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.893387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.893387 (E_RNA)
where:
Base-Base interactions energy: -110.277
where: short stacking energy: -58.325
Base-Backbone interact. energy: -0.004
local terms energy: -64.612001
where:
bonds (distance) C4'-P energy: -6.386
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -13.809
tors. eta vs tors. theta energy: -13.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -102.183344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.183344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.183344 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -35.458
Base-Backbone interact. energy: -0.756
local terms energy: -60.623647
where:
bonds (distance) C4'-P energy: -13.385
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -8.114
tors. eta vs tors. theta energy: -8.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -171.222126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.222126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.222126 (E_RNA)
where:
Base-Base interactions energy: -109.447
where: short stacking energy: -49.611
Base-Backbone interact. energy: 1.848
local terms energy: -63.623500
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -4.308
tors. eta vs tors. theta energy: -12.403
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: 5
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -105.519070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.519070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.519070 (E_RNA)
where:
Base-Base interactions energy: -45.518
where: short stacking energy: -38.836
Base-Backbone interact. energy: -0.948
local terms energy: -59.053058
where:
bonds (distance) C4'-P energy: -11.004
bonds (distance) P-C4' energy: -14.926
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -9.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -96.182801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.182801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.182801 (E_RNA)
where:
Base-Base interactions energy: -35.016
where: short stacking energy: -31.476
Base-Backbone interact. energy: -0.148
local terms energy: -61.018732
where:
bonds (distance) C4'-P energy: -13.176
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -5.997
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: 3
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -81.473626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.473626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.473626 (E_RNA)
where:
Base-Base interactions energy: -28.581
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.113
local terms energy: -52.779377
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -11.282
flat angles P-C4'-P energy: -4.107
tors. eta vs tors. theta energy: -2.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -247.974255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.974255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.974255 (E_RNA)
where:
Base-Base interactions energy: -179.208
where: short stacking energy: -57.768
Base-Backbone interact. energy: -2.382
local terms energy: -66.384397
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -9.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -199.633187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.633187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.633187 (E_RNA)
where:
Base-Base interactions energy: -127.312
where: short stacking energy: -72.782
Base-Backbone interact. energy: -0.081
local terms energy: -72.239942
where:
bonds (distance) C4'-P energy: -10.769
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -6.702
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: 3, replica: 10
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -207.209618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.209618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.209618 (E_RNA)
where:
Base-Base interactions energy: -139.501
where: short stacking energy: -59.310
Base-Backbone interact. energy: -0.073
local terms energy: -67.635719
where:
bonds (distance) C4'-P energy: -12.695
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -13.315
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -12.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -182.596244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.596244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.596244 (E_RNA)
where:
Base-Base interactions energy: -108.888
where: short stacking energy: -51.187
Base-Backbone interact. energy: -0.046
local terms energy: -73.662157
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -14.443
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: 1
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -173.324215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.324215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.324215 (E_RNA)
where:
Base-Base interactions energy: -106.840
where: short stacking energy: -51.382
Base-Backbone interact. energy: -0.486
local terms energy: -65.998736
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -17.231
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -10.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -95.112082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.112082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.112082 (E_RNA)
where:
Base-Base interactions energy: -34.947
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.238
local terms energy: -59.927546
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -14.278
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -1.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -179.926424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926424 (E_RNA)
where:
Base-Base interactions energy: -115.255
where: short stacking energy: -67.257
Base-Backbone interact. energy: -0.097
local terms energy: -64.574760
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -9.475
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -19.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -92.380965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.380965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.380965 (E_RNA)
where:
Base-Base interactions energy: -35.755
where: short stacking energy: -35.513
Base-Backbone interact. energy: -0.239
local terms energy: -56.387077
where:
bonds (distance) C4'-P energy: -10.869
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -8.706
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: 9, replica: 3
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -93.761134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.761134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.761134 (E_RNA)
where:
Base-Base interactions energy: -32.434
where: short stacking energy: -30.879
Base-Backbone interact. energy: -0.012
local terms energy: -61.315630
where:
bonds (distance) C4'-P energy: -14.277
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -9.487
tors. eta vs tors. theta energy: -5.738
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: 7
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -89.522794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.522794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.522794 (E_RNA)
where:
Base-Base interactions energy: -35.844
where: short stacking energy: -35.844
Base-Backbone interact. energy: -0.233
local terms energy: -53.446074
where:
bonds (distance) C4'-P energy: -13.266
bonds (distance) P-C4' energy: -12.289
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -8.564
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: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -261.330293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.330293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.330293 (E_RNA)
where:
Base-Base interactions energy: -184.550
where: short stacking energy: -65.355
Base-Backbone interact. energy: -0.359
local terms energy: -76.421542
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -17.964
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -13.747
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: 147
Temperature: 0.950000
Total energy: -211.846865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.846865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.846865 (E_RNA)
where:
Base-Base interactions energy: -140.956
where: short stacking energy: -63.615
Base-Backbone interact. energy: -0.743
local terms energy: -70.148057
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -13.721
flat angles C4'-P-C4' energy: -13.338
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -15.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -187.259561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.259561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.259561 (E_RNA)
where:
Base-Base interactions energy: -111.848
where: short stacking energy: -53.411
Base-Backbone interact. energy: -0.085
local terms energy: -75.326630
where:
bonds (distance) C4'-P energy: -14.287
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -173.752058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.752058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.752058 (E_RNA)
where:
Base-Base interactions energy: -102.888
where: short stacking energy: -41.597
Base-Backbone interact. energy: 0.433
local terms energy: -71.297304
where:
bonds (distance) C4'-P energy: -18.584
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -6.587
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: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -177.559114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.559114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.559114 (E_RNA)
where:
Base-Base interactions energy: -113.300
where: short stacking energy: -56.280
Base-Backbone interact. energy: -0.010
local terms energy: -64.249518
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -13.180
tors. eta vs tors. theta energy: -12.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -163.581272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.581272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.581272 (E_RNA)
where:
Base-Base interactions energy: -107.593
where: short stacking energy: -58.140
Base-Backbone interact. energy: -0.410
local terms energy: -55.578756
where:
bonds (distance) C4'-P energy: -12.712
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -7.102
tors. eta vs tors. theta energy: -7.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -99.928232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.928232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.928232 (E_RNA)
where:
Base-Base interactions energy: -42.872
where: short stacking energy: -42.122
Base-Backbone interact. energy: 0.134
local terms energy: -57.189946
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -11.682
flat angles C4'-P-C4' energy: -17.589
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -85.469864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.469864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.469864 (E_RNA)
where:
Base-Base interactions energy: -38.302
where: short stacking energy: -23.749
Base-Backbone interact. energy: -1.269
local terms energy: -45.898325
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -8.745
flat angles P-C4'-P energy: -7.762
tors. eta vs tors. theta energy: -1.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -97.912341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912341 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -38.761
Base-Backbone interact. energy: -0.140
local terms energy: -53.829509
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -4.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -89.614983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.614983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.614983 (E_RNA)
where:
Base-Base interactions energy: -28.857
where: short stacking energy: -28.632
Base-Backbone interact. energy: -1.084
local terms energy: -59.673723
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -11.067
flat angles P-C4'-P energy: -10.582
tors. eta vs tors. theta energy: -5.970
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -258.507764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.507764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.507764 (E_RNA)
where:
Base-Base interactions energy: -183.722
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.512
local terms energy: -74.274005
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -14.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -207.161051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.161051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.161051 (E_RNA)
where:
Base-Base interactions energy: -124.886
where: short stacking energy: -67.317
Base-Backbone interact. energy: 1.496
local terms energy: -83.770535
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -200.510483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.510483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.510483 (E_RNA)
where:
Base-Base interactions energy: -135.619
where: short stacking energy: -60.882
Base-Backbone interact. energy: -0.333
local terms energy: -64.558120
where:
bonds (distance) C4'-P energy: -9.836
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -10.580
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: 1
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -183.327739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.327739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.327739 (E_RNA)
where:
Base-Base interactions energy: -109.985
where: short stacking energy: -56.600
Base-Backbone interact. energy: -0.089
local terms energy: -73.253716
where:
bonds (distance) C4'-P energy: -15.348
bonds (distance) P-C4' energy: -13.099
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -17.220
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: 9
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -176.121456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.121456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.121456 (E_RNA)
where:
Base-Base interactions energy: -111.880
where: short stacking energy: -56.597
Base-Backbone interact. energy: -0.070
local terms energy: -64.172059
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -15.932
flat angles P-C4'-P energy: -6.252
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: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -170.808148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.808148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.808148 (E_RNA)
where:
Base-Base interactions energy: -105.344
where: short stacking energy: -48.303
Base-Backbone interact. energy: -0.332
local terms energy: -65.132581
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -9.630
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: 7, replica: 3
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -102.297774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.297774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.297774 (E_RNA)
where:
Base-Base interactions energy: -45.216
where: short stacking energy: -42.288
Base-Backbone interact. energy: -0.262
local terms energy: -56.819518
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -11.900
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -6.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -94.819324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.819324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.819324 (E_RNA)
where:
Base-Base interactions energy: -36.779
where: short stacking energy: -36.402
Base-Backbone interact. energy: -0.143
local terms energy: -57.896925
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -16.210
flat angles P-C4'-P energy: -9.366
tors. eta vs tors. theta energy: -0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -83.495304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.495304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.495304 (E_RNA)
where:
Base-Base interactions energy: -35.826
where: short stacking energy: -30.359
Base-Backbone interact. energy: -0.947
local terms energy: -46.721998
where:
bonds (distance) C4'-P energy: -11.969
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -9.136
flat angles P-C4'-P energy: -7.748
tors. eta vs tors. theta energy: -1.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -85.990735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990735 (E_RNA)
where:
Base-Base interactions energy: -38.546
where: short stacking energy: -21.678
Base-Backbone interact. energy: -0.148
local terms energy: -47.297028
where:
bonds (distance) C4'-P energy: -14.597
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -11.135
flat angles P-C4'-P energy: -4.312
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: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -263.806640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.806640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.806640 (E_RNA)
where:
Base-Base interactions energy: -191.604
where: short stacking energy: -57.384
Base-Backbone interact. energy: -1.100
local terms energy: -71.102197
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -15.856
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -12.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -202.184519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.184519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.184519 (E_RNA)
where:
Base-Base interactions energy: -127.490
where: short stacking energy: -62.722
Base-Backbone interact. energy: -0.275
local terms energy: -74.420244
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -16.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -209.080754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.080754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.080754 (E_RNA)
where:
Base-Base interactions energy: -135.885
where: short stacking energy: -66.139
Base-Backbone interact. energy: -1.019
local terms energy: -72.176877
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -16.530
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -14.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -196.043640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.043640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.043640 (E_RNA)
where:
Base-Base interactions energy: -125.848
where: short stacking energy: -61.533
Base-Backbone interact. energy: -0.131
local terms energy: -70.064975
where:
bonds (distance) C4'-P energy: -19.270
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -14.336
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -13.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -193.304829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.304829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.304829 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -59.188
Base-Backbone interact. energy: -0.506
local terms energy: -75.549341
where:
bonds (distance) C4'-P energy: -13.247
bonds (distance) P-C4' energy: -14.161
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -169.270623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.270623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.270623 (E_RNA)
where:
Base-Base interactions energy: -104.998
where: short stacking energy: -46.523
Base-Backbone interact. energy: -0.253
local terms energy: -64.019748
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -14.261
flat angles P-C4'-P energy: -9.523
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: 7, replica: 3
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -91.734510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.734510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.734510 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -26.707
Base-Backbone interact. energy: -1.610
local terms energy: -49.623926
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -8.401
flat angles P-C4'-P energy: -7.147
tors. eta vs tors. theta energy: 0.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -96.811479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.811479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.811479 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.590
local terms energy: -58.560378
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -1.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.221039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.221039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.221039 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -28.974
Base-Backbone interact. energy: -0.110
local terms energy: -55.277886
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -11.013
tors. eta vs tors. theta energy: -4.166
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: 5
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -93.740822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.740822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.740822 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -33.588
Base-Backbone interact. energy: -0.284
local terms energy: -55.691657
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -13.155
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -4.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -262.153662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.153662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.153662 (E_RNA)
where:
Base-Base interactions energy: -187.404
where: short stacking energy: -66.485
Base-Backbone interact. energy: -0.411
local terms energy: -74.338724
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -14.226
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -212.336440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.336440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.336440 (E_RNA)
where:
Base-Base interactions energy: -141.798
where: short stacking energy: -68.678
Base-Backbone interact. energy: -0.007
local terms energy: -70.531717
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -12.546
flat angles P-C4'-P energy: -10.743
tors. eta vs tors. theta energy: -15.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -201.504580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.504580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.504580 (E_RNA)
where:
Base-Base interactions energy: -131.436
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.042
local terms energy: -70.026679
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -15.471
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -7.759
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -195.458124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.458124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.458124 (E_RNA)
where:
Base-Base interactions energy: -137.024
where: short stacking energy: -57.266
Base-Backbone interact. energy: 1.035
local terms energy: -59.469146
where:
bonds (distance) C4'-P energy: -16.936
bonds (distance) P-C4' energy: -13.673
flat angles C4'-P-C4' energy: -10.026
flat angles P-C4'-P energy: -11.712
tors. eta vs tors. theta energy: -7.121
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: 1
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -179.726065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.726065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.726065 (E_RNA)
where:
Base-Base interactions energy: -111.829
where: short stacking energy: -53.022
Base-Backbone interact. energy: -0.311
local terms energy: -67.586036
where:
bonds (distance) C4'-P energy: -16.311
bonds (distance) P-C4' energy: -15.482
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -10.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -172.018060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.018060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.018060 (E_RNA)
where:
Base-Base interactions energy: -101.184
where: short stacking energy: -55.425
Base-Backbone interact. energy: -0.645
local terms energy: -70.189256
where:
bonds (distance) C4'-P energy: -17.296
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -8.132
tors. eta vs tors. theta energy: -16.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -104.984317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.984317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.984317 (E_RNA)
where:
Base-Base interactions energy: -42.984
where: short stacking energy: -42.984
Base-Backbone interact. energy: 0.885
local terms energy: -62.884948
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -12.760
flat angles C4'-P-C4' energy: -15.249
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -10.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -99.055357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.055357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.055357 (E_RNA)
where:
Base-Base interactions energy: -41.474
where: short stacking energy: -40.821
Base-Backbone interact. energy: -0.110
local terms energy: -57.471229
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -12.379
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -5.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -83.379759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.379759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.379759 (E_RNA)
where:
Base-Base interactions energy: -31.738
where: short stacking energy: -19.943
Base-Backbone interact. energy: 0.400
local terms energy: -52.042510
where:
bonds (distance) C4'-P energy: -14.500
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -83.966061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.966061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.966061 (E_RNA)
where:
Base-Base interactions energy: -26.241
where: short stacking energy: -23.854
Base-Backbone interact. energy: -0.192
local terms energy: -57.533123
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -6.023
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -244.629907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.629907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.629907 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -63.645
Base-Backbone interact. energy: -1.283
local terms energy: -73.229157
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.638
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: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -213.227640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.227640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.227640 (E_RNA)
where:
Base-Base interactions energy: -135.984
where: short stacking energy: -70.635
Base-Backbone interact. energy: 0.392
local terms energy: -77.635747
where:
bonds (distance) C4'-P energy: -14.128
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -18.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -198.719599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.719599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.719599 (E_RNA)
where:
Base-Base interactions energy: -126.371
where: short stacking energy: -65.043
Base-Backbone interact. energy: -0.492
local terms energy: -71.856273
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -6.078
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -202.101149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.101149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.101149 (E_RNA)
where:
Base-Base interactions energy: -123.973
where: short stacking energy: -61.971
Base-Backbone interact. energy: -0.120
local terms energy: -78.007819
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -19.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -182.180084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.180084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.180084 (E_RNA)
where:
Base-Base interactions energy: -119.628
where: short stacking energy: -57.077
Base-Backbone interact. energy: -0.585
local terms energy: -61.967624
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -15.764
flat angles P-C4'-P energy: -9.360
tors. eta vs tors. theta energy: -12.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -166.191608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.191608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.191608 (E_RNA)
where:
Base-Base interactions energy: -101.357
where: short stacking energy: -41.435
Base-Backbone interact. energy: -0.380
local terms energy: -64.454329
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -12.258
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -12.066
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: 7
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -101.012947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.012947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.012947 (E_RNA)
where:
Base-Base interactions energy: -35.778
where: short stacking energy: -33.551
Base-Backbone interact. energy: -0.191
local terms energy: -65.043343
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -14.267
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -9.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -99.296547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.296547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.296547 (E_RNA)
where:
Base-Base interactions energy: -39.485
where: short stacking energy: -38.095
Base-Backbone interact. energy: 0.010
local terms energy: -59.821629
where:
bonds (distance) C4'-P energy: -10.503
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -10.096
tors. eta vs tors. theta energy: -6.138
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: 3
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -87.453497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.453497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.453497 (E_RNA)
where:
Base-Base interactions energy: -40.721
where: short stacking energy: -32.726
Base-Backbone interact. energy: -0.525
local terms energy: -46.207555
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -13.578
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -4.353
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -78.453414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.453414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.453414 (E_RNA)
where:
Base-Base interactions energy: -25.563
where: short stacking energy: -25.040
Base-Backbone interact. energy: -0.007
local terms energy: -52.883433
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -14.738
flat angles C4'-P-C4' energy: -12.115
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -0.820
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: 1, replica: 2
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -249.375672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.375672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.375672 (E_RNA)
where:
Base-Base interactions energy: -177.558
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.295
local terms energy: -71.522155
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -12.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -219.158105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.158105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.158105 (E_RNA)
where:
Base-Base interactions energy: -141.070
where: short stacking energy: -59.833
Base-Backbone interact. energy: -0.018
local terms energy: -78.069948
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -14.998
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -17.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -196.062870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.062870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.062870 (E_RNA)
where:
Base-Base interactions energy: -117.137
where: short stacking energy: -57.525
Base-Backbone interact. energy: -0.475
local terms energy: -78.451044
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -13.368
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -194.419402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.419402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.419402 (E_RNA)
where:
Base-Base interactions energy: -114.583
where: short stacking energy: -63.214
Base-Backbone interact. energy: -0.727
local terms energy: -79.109433
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.960
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: 4
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -177.376621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.376621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.376621 (E_RNA)
where:
Base-Base interactions energy: -117.942
where: short stacking energy: -52.597
Base-Backbone interact. energy: -0.207
local terms energy: -59.228500
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -13.567
flat angles C4'-P-C4' energy: -13.566
flat angles P-C4'-P energy: -7.118
tors. eta vs tors. theta energy: -12.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -178.333967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.333967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.333967 (E_RNA)
where:
Base-Base interactions energy: -110.965
where: short stacking energy: -58.162
Base-Backbone interact. energy: -0.050
local terms energy: -67.318989
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -12.004
tors. eta vs tors. theta energy: -11.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -105.325804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.325804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.325804 (E_RNA)
where:
Base-Base interactions energy: -47.370
where: short stacking energy: -43.701
Base-Backbone interact. energy: -0.846
local terms energy: -57.109434
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -13.615
flat angles C4'-P-C4' energy: -15.296
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -6.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -97.742833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.742833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.742833 (E_RNA)
where:
Base-Base interactions energy: -37.364
where: short stacking energy: -34.347
Base-Backbone interact. energy: -0.568
local terms energy: -59.810776
where:
bonds (distance) C4'-P energy: -10.793
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -7.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -91.055111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.055111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.055111 (E_RNA)
where:
Base-Base interactions energy: -38.958
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.184
local terms energy: -51.913080
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -4.102
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -76.002215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.002215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.002215 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -26.437
Base-Backbone interact. energy: -0.173
local terms energy: -49.392092
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -14.489
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -253.750490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.750490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.750490 (E_RNA)
where:
Base-Base interactions energy: -170.078
where: short stacking energy: -72.996
Base-Backbone interact. energy: -0.331
local terms energy: -83.341438
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -14.214
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -211.438987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.438987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.438987 (E_RNA)
where:
Base-Base interactions energy: -142.811
where: short stacking energy: -54.702
Base-Backbone interact. energy: -0.991
local terms energy: -67.636786
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -10.866
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: 3, replica: 10
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -212.830239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.830239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.830239 (E_RNA)
where:
Base-Base interactions energy: -142.133
where: short stacking energy: -67.619
Base-Backbone interact. energy: -0.704
local terms energy: -69.993441
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.095
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -7.610
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: 4, replica: 6
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -217.100546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.100546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.100546 (E_RNA)
where:
Base-Base interactions energy: -145.634
where: short stacking energy: -53.552
Base-Backbone interact. energy: 0.931
local terms energy: -72.397164
where:
bonds (distance) C4'-P energy: -17.271
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -11.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -184.883617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.883617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.883617 (E_RNA)
where:
Base-Base interactions energy: -111.744
where: short stacking energy: -56.376
Base-Backbone interact. energy: -0.111
local terms energy: -73.028364
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -12.438
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -15.341
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: 5
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -95.610407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.610407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.610407 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -37.345
Base-Backbone interact. energy: -0.205
local terms energy: -58.060073
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -10.524
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -5.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -171.699956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.699956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.699956 (E_RNA)
where:
Base-Base interactions energy: -102.384
where: short stacking energy: -43.855
Base-Backbone interact. energy: -0.219
local terms energy: -69.097208
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -19.025
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -7.938
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -90.927022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.927022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.927022 (E_RNA)
where:
Base-Base interactions energy: -39.291
where: short stacking energy: -35.878
Base-Backbone interact. energy: -0.083
local terms energy: -51.552816
where:
bonds (distance) C4'-P energy: -7.485
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -2.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -94.935867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.935867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.935867 (E_RNA)
where:
Base-Base interactions energy: -34.557
where: short stacking energy: -34.557
Base-Backbone interact. energy: -0.018
local terms energy: -60.361154
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -4.661
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: 153
Temperature: 1.350000
Total energy: -85.256854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.256854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.256854 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -24.787
Base-Backbone interact. energy: -0.140
local terms energy: -49.587953
where:
bonds (distance) C4'-P energy: -11.533
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -7.566
tors. eta vs tors. theta energy: -0.956
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: 1, replica: 2
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -244.841358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.841358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.841358 (E_RNA)
where:
Base-Base interactions energy: -167.733
where: short stacking energy: -69.951
Base-Backbone interact. energy: -0.208
local terms energy: -76.900729
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -18.220
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -15.262
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: 9
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -208.376200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.376200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.376200 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -47.911
Base-Backbone interact. energy: -1.512
local terms energy: -64.820809
where:
bonds (distance) C4'-P energy: -14.025
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -10.682
tors. eta vs tors. theta energy: -11.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -202.393337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.393337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.393337 (E_RNA)
where:
Base-Base interactions energy: -130.326
where: short stacking energy: -62.756
Base-Backbone interact. energy: -0.085
local terms energy: -71.982826
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -7.420
tors. eta vs tors. theta energy: -17.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -201.081688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.081688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.081688 (E_RNA)
where:
Base-Base interactions energy: -124.759
where: short stacking energy: -52.370
Base-Backbone interact. energy: -0.453
local terms energy: -75.869845
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -11.851
tors. eta vs tors. theta energy: -17.521
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: 4
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -192.420308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.420308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.420308 (E_RNA)
where:
Base-Base interactions energy: -116.953
where: short stacking energy: -62.705
Base-Backbone interact. energy: -0.246
local terms energy: -75.221063
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -12.482
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -105.945015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.945015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.945015 (E_RNA)
where:
Base-Base interactions energy: -42.050
where: short stacking energy: -40.839
Base-Backbone interact. energy: -0.132
local terms energy: -63.763574
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -12.052
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: -9.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -185.792266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.792266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.792266 (E_RNA)
where:
Base-Base interactions energy: -115.180
where: short stacking energy: -48.035
Base-Backbone interact. energy: 2.215
local terms energy: -72.827588
where:
bonds (distance) C4'-P energy: -10.299
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -17.795
flat angles P-C4'-P energy: -10.436
tors. eta vs tors. theta energy: -15.290
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: 7
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -95.298246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.298246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.298246 (E_RNA)
where:
Base-Base interactions energy: -39.882
where: short stacking energy: -35.768
Base-Backbone interact. energy: -0.091
local terms energy: -55.324667
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -3.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -97.239099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.239099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.239099 (E_RNA)
where:
Base-Base interactions energy: -44.845
where: short stacking energy: -25.417
Base-Backbone interact. energy: -0.190
local terms energy: -52.203652
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -5.295
tors. eta vs tors. theta energy: -4.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -85.931807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.931807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.931807 (E_RNA)
where:
Base-Base interactions energy: -34.451
where: short stacking energy: -26.103
Base-Backbone interact. energy: -0.163
local terms energy: -51.318128
where:
bonds (distance) C4'-P energy: -11.963
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -251.635907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.635907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.635907 (E_RNA)
where:
Base-Base interactions energy: -174.629
where: short stacking energy: -67.847
Base-Backbone interact. energy: -1.121
local terms energy: -75.886014
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -14.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -210.959471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.959471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.959471 (E_RNA)
where:
Base-Base interactions energy: -130.587
where: short stacking energy: -53.809
Base-Backbone interact. energy: -0.707
local terms energy: -79.665006
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -14.009
tors. eta vs tors. theta energy: -13.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -198.933312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.933312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.933312 (E_RNA)
where:
Base-Base interactions energy: -137.100
where: short stacking energy: -64.537
Base-Backbone interact. energy: 0.428
local terms energy: -62.261224
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -16.021
flat angles C4'-P-C4' energy: -12.948
flat angles P-C4'-P energy: -4.605
tors. eta vs tors. theta energy: -13.858
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: 4
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -202.654279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.654279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.654279 (E_RNA)
where:
Base-Base interactions energy: -127.070
where: short stacking energy: -65.821
Base-Backbone interact. energy: 0.846
local terms energy: -76.429753
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -14.858
flat angles P-C4'-P energy: -9.579
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: 5, replica: 10
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -194.189137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.189137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.189137 (E_RNA)
where:
Base-Base interactions energy: -122.247
where: short stacking energy: -60.228
Base-Backbone interact. energy: 0.774
local terms energy: -72.716387
where:
bonds (distance) C4'-P energy: -12.621
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -10.835
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: 1
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -178.217131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.217131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.217131 (E_RNA)
where:
Base-Base interactions energy: -107.058
where: short stacking energy: -60.985
Base-Backbone interact. energy: -0.974
local terms energy: -70.185542
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -13.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -102.181082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.181082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.181082 (E_RNA)
where:
Base-Base interactions energy: -48.845
where: short stacking energy: -34.583
Base-Backbone interact. energy: -0.087
local terms energy: -53.249041
where:
bonds (distance) C4'-P energy: -12.834
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -5.857
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -85.425349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.425349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.425349 (E_RNA)
where:
Base-Base interactions energy: -36.725
where: short stacking energy: -15.780
Base-Backbone interact. energy: -1.267
local terms energy: -47.432606
where:
bonds (distance) C4'-P energy: -12.943
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -12.524
flat angles P-C4'-P energy: -10.515
tors. eta vs tors. theta energy: 3.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -85.753461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.753461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.753461 (E_RNA)
where:
Base-Base interactions energy: -34.214
where: short stacking energy: -34.214
Base-Backbone interact. energy: 0.721
local terms energy: -52.260665
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -13.123
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -9.009
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -86.805440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.805440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.805440 (E_RNA)
where:
Base-Base interactions energy: -31.803
where: short stacking energy: -26.762
Base-Backbone interact. energy: -0.169
local terms energy: -54.832840
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: 1.537
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: 2
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -254.274671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.274671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.274671 (E_RNA)
where:
Base-Base interactions energy: -183.361
where: short stacking energy: -74.963
Base-Backbone interact. energy: -0.115
local terms energy: -70.798547
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -10.742
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: 2, replica: 9
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -212.392153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.392153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.392153 (E_RNA)
where:
Base-Base interactions energy: -145.659
where: short stacking energy: -58.178
Base-Backbone interact. energy: -0.528
local terms energy: -66.205609
where:
bonds (distance) C4'-P energy: -8.912
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -8.213
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: 3, replica: 6
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -200.391102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.391102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.391102 (E_RNA)
where:
Base-Base interactions energy: -126.959
where: short stacking energy: -51.349
Base-Backbone interact. energy: -0.121
local terms energy: -73.310548
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -12.590
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: 156
Temperature: 1.050000
Total energy: -168.143980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.143980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.143980 (E_RNA)
where:
Base-Base interactions energy: -102.902
where: short stacking energy: -60.587
Base-Backbone interact. energy: -1.440
local terms energy: -63.801821
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -12.612
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -12.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -202.193288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.193288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.193288 (E_RNA)
where:
Base-Base interactions energy: -129.117
where: short stacking energy: -63.559
Base-Backbone interact. energy: 0.017
local terms energy: -73.093198
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -13.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -147.620464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.620464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.620464 (E_RNA)
where:
Base-Base interactions energy: -77.189
where: short stacking energy: -54.639
Base-Backbone interact. energy: -0.048
local terms energy: -70.383429
where:
bonds (distance) C4'-P energy: -13.454
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -12.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -110.996978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.996978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.996978 (E_RNA)
where:
Base-Base interactions energy: -52.530
where: short stacking energy: -42.541
Base-Backbone interact. energy: -0.767
local terms energy: -57.700054
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -7.546
tors. eta vs tors. theta energy: -12.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -101.368115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.368115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.368115 (E_RNA)
where:
Base-Base interactions energy: -53.553
where: short stacking energy: -29.462
Base-Backbone interact. energy: -0.513
local terms energy: -47.302502
where:
bonds (distance) C4'-P energy: -12.893
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: 2.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -86.046408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046408 (E_RNA)
where:
Base-Base interactions energy: -33.043
where: short stacking energy: -33.043
Base-Backbone interact. energy: 2.810
local terms energy: -55.813544
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -16.231
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -11.568
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: 3
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -74.013397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.013397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.013397 (E_RNA)
where:
Base-Base interactions energy: -28.626
where: short stacking energy: -21.645
Base-Backbone interact. energy: 0.358
local terms energy: -45.745487
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -11.709
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -1.787
tors. eta vs tors. theta energy: -4.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -253.111609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.111609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.111609 (E_RNA)
where:
Base-Base interactions energy: -173.125
where: short stacking energy: -64.060
Base-Backbone interact. energy: -1.022
local terms energy: -78.965238
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -19.946
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -15.781
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: 6
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -204.140993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.140993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.140993 (E_RNA)
where:
Base-Base interactions energy: -130.782
where: short stacking energy: -55.776
Base-Backbone interact. energy: -0.107
local terms energy: -73.252661
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -10.475
tors. eta vs tors. theta energy: -15.005
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: 9
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -195.246069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.246069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.246069 (E_RNA)
where:
Base-Base interactions energy: -127.689
where: short stacking energy: -58.173
Base-Backbone interact. energy: -0.158
local terms energy: -67.398560
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -8.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -216.763511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.763511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.763511 (E_RNA)
where:
Base-Base interactions energy: -139.921
where: short stacking energy: -64.192
Base-Backbone interact. energy: -0.031
local terms energy: -76.811238
where:
bonds (distance) C4'-P energy: -15.773
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -17.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -184.116403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.116403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.116403 (E_RNA)
where:
Base-Base interactions energy: -123.771
where: short stacking energy: -59.389
Base-Backbone interact. energy: -0.118
local terms energy: -60.227868
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -15.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -110.251134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.251134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.251134 (E_RNA)
where:
Base-Base interactions energy: -49.336
where: short stacking energy: -42.003
Base-Backbone interact. energy: 0.023
local terms energy: -60.938674
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -13.521
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -9.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -121.667295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.667295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.667295 (E_RNA)
where:
Base-Base interactions energy: -72.188
where: short stacking energy: -42.140
Base-Backbone interact. energy: -0.425
local terms energy: -49.054473
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -12.402
flat angles C4'-P-C4' energy: -9.883
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -3.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -89.319798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.319798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.319798 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.113
local terms energy: -53.769949
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -10.178
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -8.197
tors. eta vs tors. theta energy: -8.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -89.804770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.804770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.804770 (E_RNA)
where:
Base-Base interactions energy: -40.876
where: short stacking energy: -40.141
Base-Backbone interact. energy: -0.094
local terms energy: -48.834139
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -11.322
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -6.686
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -92.105267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.105267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.105267 (E_RNA)
where:
Base-Base interactions energy: -41.931
where: short stacking energy: -39.166
Base-Backbone interact. energy: -0.002
local terms energy: -50.172413
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -9.403
flat angles P-C4'-P energy: -7.480
tors. eta vs tors. theta energy: -8.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -251.705887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.705887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.705887 (E_RNA)
where:
Base-Base interactions energy: -174.341
where: short stacking energy: -69.860
Base-Backbone interact. energy: -0.263
local terms energy: -77.101425
where:
bonds (distance) C4'-P energy: -18.968
bonds (distance) P-C4' energy: -15.179
flat angles C4'-P-C4' energy: -13.051
flat angles P-C4'-P energy: -14.943
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: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -207.419312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.419312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.419312 (E_RNA)
where:
Base-Base interactions energy: -130.638
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.110
local terms energy: -76.670607
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -7.301
tors. eta vs tors. theta energy: -17.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -221.663967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.663967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.663967 (E_RNA)
where:
Base-Base interactions energy: -143.455
where: short stacking energy: -60.581
Base-Backbone interact. energy: 0.056
local terms energy: -78.265646
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -14.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -199.032535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.032535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.032535 (E_RNA)
where:
Base-Base interactions energy: -126.311
where: short stacking energy: -59.655
Base-Backbone interact. energy: -0.547
local terms energy: -72.174977
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -11.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -158.315541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.315541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.315541 (E_RNA)
where:
Base-Base interactions energy: -89.902
where: short stacking energy: -45.032
Base-Backbone interact. energy: -0.058
local terms energy: -68.355668
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -3.881
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: 6, replica: 8
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -100.381384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.381384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.381384 (E_RNA)
where:
Base-Base interactions energy: -50.302
where: short stacking energy: -36.504
Base-Backbone interact. energy: 0.087
local terms energy: -50.166532
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -6.354
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -6.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -103.564739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.564739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.564739 (E_RNA)
where:
Base-Base interactions energy: -46.991
where: short stacking energy: -46.526
Base-Backbone interact. energy: -0.223
local terms energy: -56.351446
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -10.346
flat angles C4'-P-C4' energy: -14.759
flat angles P-C4'-P energy: -7.280
tors. eta vs tors. theta energy: -9.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -85.746691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.746691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.746691 (E_RNA)
where:
Base-Base interactions energy: -26.268
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.021
local terms energy: -59.458129
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -5.850
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -104.349376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.349376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.349376 (E_RNA)
where:
Base-Base interactions energy: -40.195
where: short stacking energy: -40.195
Base-Backbone interact. energy: -0.105
local terms energy: -64.048916
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -11.674
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -10.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -81.361202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.361202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.361202 (E_RNA)
where:
Base-Base interactions energy: -29.585
where: short stacking energy: -20.061
Base-Backbone interact. energy: -0.618
local terms energy: -51.158496
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -8.600
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -251.175089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.175089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.175089 (E_RNA)
where:
Base-Base interactions energy: -167.432
where: short stacking energy: -70.130
Base-Backbone interact. energy: -0.240
local terms energy: -83.503389
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -230.127013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.127013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.127013 (E_RNA)
where:
Base-Base interactions energy: -152.873
where: short stacking energy: -70.315
Base-Backbone interact. energy: -0.093
local terms energy: -77.161356
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -20.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -216.643453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.643453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.643453 (E_RNA)
where:
Base-Base interactions energy: -133.991
where: short stacking energy: -65.868
Base-Backbone interact. energy: -0.924
local terms energy: -81.728265
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -18.921
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: 4, replica: 4
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -197.743644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.743644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.743644 (E_RNA)
where:
Base-Base interactions energy: -122.395
where: short stacking energy: -62.871
Base-Backbone interact. energy: -0.408
local terms energy: -74.940921
where:
bonds (distance) C4'-P energy: -12.906
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -12.612
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: 5, replica: 9
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -198.435294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.435294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.435294 (E_RNA)
where:
Base-Base interactions energy: -134.185
where: short stacking energy: -52.345
Base-Backbone interact. energy: 0.317
local terms energy: -64.566918
where:
bonds (distance) C4'-P energy: -12.647
bonds (distance) P-C4' energy: -15.588
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -8.008
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: 6, replica: 8
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -105.652214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.652214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.652214 (E_RNA)
where:
Base-Base interactions energy: -42.879
where: short stacking energy: -31.421
Base-Backbone interact. energy: 0.259
local terms energy: -63.031961
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -10.389
tors. eta vs tors. theta energy: -4.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -110.127832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.127832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.127832 (E_RNA)
where:
Base-Base interactions energy: -59.878
where: short stacking energy: -31.714
Base-Backbone interact. energy: -0.655
local terms energy: -49.595471
where:
bonds (distance) C4'-P energy: -13.685
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -8.912
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: 0.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -95.511532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.511532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.511532 (E_RNA)
where:
Base-Base interactions energy: -35.428
where: short stacking energy: -33.456
Base-Backbone interact. energy: -0.109
local terms energy: -59.974545
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -5.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -104.926354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.926354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.926354 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -31.341
Base-Backbone interact. energy: -0.046
local terms energy: -62.276866
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -15.062
flat angles P-C4'-P energy: -10.592
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: 159
Temperature: 1.350000
Total energy: -81.290987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.290987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.290987 (E_RNA)
where:
Base-Base interactions energy: -24.448
where: short stacking energy: -17.217
Base-Backbone interact. energy: -0.415
local terms energy: -56.427444
where:
bonds (distance) C4'-P energy: -12.684
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: 0.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -249.040337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.040337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.040337 (E_RNA)
where:
Base-Base interactions energy: -169.347
where: short stacking energy: -71.116
Base-Backbone interact. energy: -0.544
local terms energy: -79.149859
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -15.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -223.215511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.215511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.215511 (E_RNA)
where:
Base-Base interactions energy: -148.522
where: short stacking energy: -65.447
Base-Backbone interact. energy: -0.383
local terms energy: -74.310356
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -15.069
flat angles C4'-P-C4' energy: -18.157
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -16.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -208.080710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.080710 (E_RNA)
where:
Base-Base interactions energy: -132.977
where: short stacking energy: -61.757
Base-Backbone interact. energy: -0.376
local terms energy: -74.727106
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -6.192
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: 4, replica: 4
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -212.207858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.207858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.207858 (E_RNA)
where:
Base-Base interactions energy: -129.749
where: short stacking energy: -75.001
Base-Backbone interact. energy: -0.005
local terms energy: -82.453798
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -19.133
flat angles P-C4'-P energy: -7.239
tors. eta vs tors. theta energy: -22.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -200.735116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.735116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.735116 (E_RNA)
where:
Base-Base interactions energy: -130.043
where: short stacking energy: -59.248
Base-Backbone interact. energy: -0.063
local terms energy: -70.628918
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -14.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -107.756377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.756377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.756377 (E_RNA)
where:
Base-Base interactions energy: -40.455
where: short stacking energy: -40.455
Base-Backbone interact. energy: -0.401
local terms energy: -66.900985
where:
bonds (distance) C4'-P energy: -14.840
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -12.131
flat angles P-C4'-P energy: -12.743
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: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -110.000062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.000062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.000062 (E_RNA)
where:
Base-Base interactions energy: -45.496
where: short stacking energy: -41.397
Base-Backbone interact. energy: -0.324
local terms energy: -64.179762
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -6.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -92.406679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406679 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.145
local terms energy: -59.404199
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.732
flat angles P-C4'-P energy: -7.933
tors. eta vs tors. theta energy: -2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -83.653371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.653371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.653371 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -30.412
Base-Backbone interact. energy: 0.006
local terms energy: -52.331502
where:
bonds (distance) C4'-P energy: -15.616
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -11.097
flat angles P-C4'-P energy: -9.376
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: 10
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -90.802950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.802950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.802950 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.165
local terms energy: -47.637913
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -12.567
flat angles C4'-P-C4' energy: -12.070
flat angles P-C4'-P energy: -7.680
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -244.741757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.741757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.741757 (E_RNA)
where:
Base-Base interactions energy: -171.991
where: short stacking energy: -60.354
Base-Backbone interact. energy: -0.289
local terms energy: -72.461937
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -14.239
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: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -217.725247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.725247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.725247 (E_RNA)
where:
Base-Base interactions energy: -142.467
where: short stacking energy: -62.784
Base-Backbone interact. energy: -0.126
local terms energy: -75.132190
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -13.430
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -15.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -227.292804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.292804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.292804 (E_RNA)
where:
Base-Base interactions energy: -153.849
where: short stacking energy: -72.945
Base-Backbone interact. energy: -0.068
local terms energy: -73.375568
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -13.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -191.866127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.866127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.866127 (E_RNA)
where:
Base-Base interactions energy: -121.179
where: short stacking energy: -73.009
Base-Backbone interact. energy: -0.016
local terms energy: -70.670744
where:
bonds (distance) C4'-P energy: -10.621
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -16.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -205.069181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.069181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.069181 (E_RNA)
where:
Base-Base interactions energy: -130.902
where: short stacking energy: -65.276
Base-Backbone interact. energy: -0.231
local terms energy: -73.936650
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -15.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -120.588031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.588031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.588031 (E_RNA)
where:
Base-Base interactions energy: -49.635
where: short stacking energy: -49.635
Base-Backbone interact. energy: -0.520
local terms energy: -70.433362
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -8.078
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: 7, replica: 5
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -110.885129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.885129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.885129 (E_RNA)
where:
Base-Base interactions energy: -48.257
where: short stacking energy: -39.251
Base-Backbone interact. energy: -0.140
local terms energy: -62.488630
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -13.221
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -105.293640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.293640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.293640 (E_RNA)
where:
Base-Base interactions energy: -43.145
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.176
local terms energy: -61.972265
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -7.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -95.283532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283532 (E_RNA)
where:
Base-Base interactions energy: -39.430
where: short stacking energy: -39.430
Base-Backbone interact. energy: -0.140
local terms energy: -55.713516
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -13.616
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -82.647731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.647731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.647731 (E_RNA)
where:
Base-Base interactions energy: -30.971
where: short stacking energy: -19.439
Base-Backbone interact. energy: -0.103
local terms energy: -51.573616
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -13.460
flat angles C4'-P-C4' energy: -11.479
flat angles P-C4'-P energy: -11.669
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -238.297716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.297716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.297716 (E_RNA)
where:
Base-Base interactions energy: -169.789
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.463
local terms energy: -68.046030
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -8.750
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: 2, replica: 6
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -223.588669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.588669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.588669 (E_RNA)
where:
Base-Base interactions energy: -142.690
where: short stacking energy: -66.629
Base-Backbone interact. energy: 0.398
local terms energy: -81.297556
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -14.280
tors. eta vs tors. theta energy: -18.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -231.180094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.180094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.180094 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -60.160
Base-Backbone interact. energy: -0.575
local terms energy: -70.583760
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -9.381
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: 4, replica: 9
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -189.796763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.796763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.796763 (E_RNA)
where:
Base-Base interactions energy: -123.084
where: short stacking energy: -48.067
Base-Backbone interact. energy: -0.525
local terms energy: -66.187388
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -8.387
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: 5, replica: 8
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -112.347344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.347344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.347344 (E_RNA)
where:
Base-Base interactions energy: -51.488
where: short stacking energy: -46.283
Base-Backbone interact. energy: -0.110
local terms energy: -60.749439
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -13.249
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -10.538
tors. eta vs tors. theta energy: -6.418
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: 4
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -177.244295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.244295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.244295 (E_RNA)
where:
Base-Base interactions energy: -106.721
where: short stacking energy: -53.038
Base-Backbone interact. energy: -0.118
local terms energy: -70.404844
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -10.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -92.468245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.468245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.468245 (E_RNA)
where:
Base-Base interactions energy: -32.784
where: short stacking energy: -32.422
Base-Backbone interact. energy: 1.072
local terms energy: -60.756280
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -5.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -90.894057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.894057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.894057 (E_RNA)
where:
Base-Base interactions energy: -42.403
where: short stacking energy: -26.657
Base-Backbone interact. energy: -0.423
local terms energy: -48.067822
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.284
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -5.068
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: 9, replica: 10
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -96.254523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.254523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.254523 (E_RNA)
where:
Base-Base interactions energy: -39.878
where: short stacking energy: -32.601
Base-Backbone interact. energy: -0.810
local terms energy: -55.566363
where:
bonds (distance) C4'-P energy: -14.082
bonds (distance) P-C4' energy: -10.543
flat angles C4'-P-C4' energy: -14.842
flat angles P-C4'-P energy: -9.172
tors. eta vs tors. theta energy: -6.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -82.843387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.843387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.843387 (E_RNA)
where:
Base-Base interactions energy: -31.775
where: short stacking energy: -31.775
Base-Backbone interact. energy: -0.171
local terms energy: -50.898029
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -14.320
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -249.867251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.867251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.867251 (E_RNA)
where:
Base-Base interactions energy: -178.035
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.430
local terms energy: -71.402168
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -7.904
tors. eta vs tors. theta energy: -12.465
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: 1
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -226.457701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.457701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.457701 (E_RNA)
where:
Base-Base interactions energy: -151.761
where: short stacking energy: -62.276
Base-Backbone interact. energy: -1.281
local terms energy: -73.415342
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.025
tors. eta vs tors. theta energy: -15.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -210.347580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.347580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.347580 (E_RNA)
where:
Base-Base interactions energy: -134.784
where: short stacking energy: -65.257
Base-Backbone interact. energy: -0.020
local terms energy: -75.543002
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -13.370
flat angles C4'-P-C4' energy: -16.231
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -16.198
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: 9
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -188.382926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.382926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.382926 (E_RNA)
where:
Base-Base interactions energy: -112.750
where: short stacking energy: -63.327
Base-Backbone interact. energy: -0.078
local terms energy: -75.554821
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -17.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -102.765598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.765598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.765598 (E_RNA)
where:
Base-Base interactions energy: -47.402
where: short stacking energy: -47.402
Base-Backbone interact. energy: -0.008
local terms energy: -55.356195
where:
bonds (distance) C4'-P energy: -15.170
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -12.221
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -2.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -188.695822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.695822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.695822 (E_RNA)
where:
Base-Base interactions energy: -117.995
where: short stacking energy: -59.858
Base-Backbone interact. energy: -0.106
local terms energy: -70.595487
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -8.727
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -18.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -88.467744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.467744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.467744 (E_RNA)
where:
Base-Base interactions energy: -27.005
where: short stacking energy: -20.771
Base-Backbone interact. energy: -0.092
local terms energy: -61.371103
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -13.744
flat angles P-C4'-P energy: -7.626
tors. eta vs tors. theta energy: -6.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -98.109705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.109705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.109705 (E_RNA)
where:
Base-Base interactions energy: -43.389
where: short stacking energy: -31.807
Base-Backbone interact. energy: -0.863
local terms energy: -53.857974
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -11.471
flat angles C4'-P-C4' energy: -12.877
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -3.082
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: 3
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.089259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.089259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.089259 (E_RNA)
where:
Base-Base interactions energy: -28.662
where: short stacking energy: -14.678
Base-Backbone interact. energy: -0.881
local terms energy: -53.546295
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -13.012
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -69.205109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -69.205109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -69.205109 (E_RNA)
where:
Base-Base interactions energy: -20.480
where: short stacking energy: -20.480
Base-Backbone interact. energy: 0.146
local terms energy: -48.870452
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -17.013
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -5.926
tors. eta vs tors. theta energy: 2.393
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: 1, replica: 2
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -244.299646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.299646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.299646 (E_RNA)
where:
Base-Base interactions energy: -168.588
where: short stacking energy: -70.125
Base-Backbone interact. energy: 0.825
local terms energy: -76.537276
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.644
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -14.601
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: 2, replica: 1
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -230.954893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.954893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.954893 (E_RNA)
where:
Base-Base interactions energy: -157.289
where: short stacking energy: -58.983
Base-Backbone interact. energy: 0.694
local terms energy: -74.359888
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -18.185
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -11.852
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: 9
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -211.626175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.626175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.626175 (E_RNA)
where:
Base-Base interactions energy: -142.425
where: short stacking energy: -71.162
Base-Backbone interact. energy: -0.051
local terms energy: -69.149975
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -13.802
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: 6
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -203.815379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.815379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.815379 (E_RNA)
where:
Base-Base interactions energy: -129.435
where: short stacking energy: -61.561
Base-Backbone interact. energy: -0.036
local terms energy: -74.344086
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -6.781
tors. eta vs tors. theta energy: -16.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -192.392758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.392758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.392758 (E_RNA)
where:
Base-Base interactions energy: -115.680
where: short stacking energy: -58.546
Base-Backbone interact. energy: -0.026
local terms energy: -76.686210
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -8.422
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -110.786673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.786673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.786673 (E_RNA)
where:
Base-Base interactions energy: -44.951
where: short stacking energy: -44.951
Base-Backbone interact. energy: -0.165
local terms energy: -65.670660
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -8.046
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: 10
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -99.372896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.372896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.372896 (E_RNA)
where:
Base-Base interactions energy: -45.872
where: short stacking energy: -42.336
Base-Backbone interact. energy: 0.279
local terms energy: -53.778985
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -6.692
tors. eta vs tors. theta energy: -9.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -110.282176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.282176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.282176 (E_RNA)
where:
Base-Base interactions energy: -60.125
where: short stacking energy: -45.417
Base-Backbone interact. energy: -0.073
local terms energy: -50.084019
where:
bonds (distance) C4'-P energy: -13.395
bonds (distance) P-C4' energy: -7.777
flat angles C4'-P-C4' energy: -14.444
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -8.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -96.997659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.997659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.997659 (E_RNA)
where:
Base-Base interactions energy: -46.821
where: short stacking energy: -22.882
Base-Backbone interact. energy: -0.319
local terms energy: -49.858208
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -8.714
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -1.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -77.787776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.787776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.787776 (E_RNA)
where:
Base-Base interactions energy: -20.512
where: short stacking energy: -15.472
Base-Backbone interact. energy: 1.309
local terms energy: -58.585044
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.106
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: 1, replica: 2
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -242.350351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.350351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.350351 (E_RNA)
where:
Base-Base interactions energy: -159.989
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.407
local terms energy: -81.954571
where:
bonds (distance) C4'-P energy: -19.556
bonds (distance) P-C4' energy: -19.676
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -14.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -230.198146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.198146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.198146 (E_RNA)
where:
Base-Base interactions energy: -163.313
where: short stacking energy: -62.946
Base-Backbone interact. energy: -0.310
local terms energy: -66.574603
where:
bonds (distance) C4'-P energy: -13.099
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -14.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -203.689684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.689684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.689684 (E_RNA)
where:
Base-Base interactions energy: -133.230
where: short stacking energy: -62.499
Base-Backbone interact. energy: 0.638
local terms energy: -71.097941
where:
bonds (distance) C4'-P energy: -19.420
bonds (distance) P-C4' energy: -14.828
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -13.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -194.260336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.260336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.260336 (E_RNA)
where:
Base-Base interactions energy: -122.159
where: short stacking energy: -61.630
Base-Backbone interact. energy: -2.625
local terms energy: -69.476236
where:
bonds (distance) C4'-P energy: -10.391
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -16.928
flat angles P-C4'-P energy: -8.143
tors. eta vs tors. theta energy: -16.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -205.017827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.017827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.017827 (E_RNA)
where:
Base-Base interactions energy: -137.335
where: short stacking energy: -63.752
Base-Backbone interact. energy: -1.204
local terms energy: -66.478863
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -16.293
flat angles P-C4'-P energy: -3.081
tors. eta vs tors. theta energy: -16.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -112.695917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.695917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.695917 (E_RNA)
where:
Base-Base interactions energy: -40.763
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.272
local terms energy: -71.660950
where:
bonds (distance) C4'-P energy: -18.426
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -11.881
tors. eta vs tors. theta energy: -9.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -111.649386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.649386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.649386 (E_RNA)
where:
Base-Base interactions energy: -44.898
where: short stacking energy: -44.680
Base-Backbone interact. energy: -0.035
local terms energy: -66.716490
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -15.115
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -10.156
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: 8, replica: 5
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -86.821815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.821815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.821815 (E_RNA)
where:
Base-Base interactions energy: -29.141
where: short stacking energy: -29.141
Base-Backbone interact. energy: 0.356
local terms energy: -58.037209
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -16.699
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -90.967578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.967578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.967578 (E_RNA)
where:
Base-Base interactions energy: -40.925
where: short stacking energy: -40.066
Base-Backbone interact. energy: 0.022
local terms energy: -50.064799
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -10.033
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -7.935
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: 7
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -93.586214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.586214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.586214 (E_RNA)
where:
Base-Base interactions energy: -35.351
where: short stacking energy: -23.898
Base-Backbone interact. energy: -0.388
local terms energy: -57.846869
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.832
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -4.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -251.563767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.563767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.563767 (E_RNA)
where:
Base-Base interactions energy: -181.404
where: short stacking energy: -70.257
Base-Backbone interact. energy: -0.576
local terms energy: -69.583084
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -13.727
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -9.404
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: 2, replica: 2
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -239.898601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.898601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.898601 (E_RNA)
where:
Base-Base interactions energy: -165.534
where: short stacking energy: -68.362
Base-Backbone interact. energy: -0.998
local terms energy: -73.365651
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -15.402
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -201.614654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.614654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.614654 (E_RNA)
where:
Base-Base interactions energy: -125.926
where: short stacking energy: -52.951
Base-Backbone interact. energy: -0.079
local terms energy: -75.610191
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -11.385
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -203.338429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.338429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.338429 (E_RNA)
where:
Base-Base interactions energy: -132.635
where: short stacking energy: -68.984
Base-Backbone interact. energy: -0.028
local terms energy: -70.675709
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: -19.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -192.579190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.579190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.579190 (E_RNA)
where:
Base-Base interactions energy: -123.406
where: short stacking energy: -50.189
Base-Backbone interact. energy: -0.365
local terms energy: -68.808474
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -10.056
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.028
tors. eta vs tors. theta energy: -17.931
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: 8
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -105.451137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.451137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.451137 (E_RNA)
where:
Base-Base interactions energy: -44.148
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.020
local terms energy: -61.282886
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -10.010
flat angles P-C4'-P energy: -9.327
tors. eta vs tors. theta energy: -13.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -98.770710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.770710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.770710 (E_RNA)
where:
Base-Base interactions energy: -33.820
where: short stacking energy: -33.820
Base-Backbone interact. energy: -0.097
local terms energy: -64.854233
where:
bonds (distance) C4'-P energy: -16.641
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -6.280
tors. eta vs tors. theta energy: -8.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -90.563629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.563629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.563629 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -36.705
Base-Backbone interact. energy: -0.192
local terms energy: -53.666116
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -15.592
flat angles C4'-P-C4' energy: -10.034
flat angles P-C4'-P energy: -10.486
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: 7
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -107.427658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.427658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.427658 (E_RNA)
where:
Base-Base interactions energy: -39.393
where: short stacking energy: -35.577
Base-Backbone interact. energy: -0.283
local terms energy: -67.751749
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -8.017
tors. eta vs tors. theta energy: -11.240
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: 3
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -85.693098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.693098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.693098 (E_RNA)
where:
Base-Base interactions energy: -38.113
where: short stacking energy: -24.200
Base-Backbone interact. energy: 1.355
local terms energy: -48.934403
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -10.464
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -0.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -247.265987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.265987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.265987 (E_RNA)
where:
Base-Base interactions energy: -166.815
where: short stacking energy: -61.861
Base-Backbone interact. energy: -1.338
local terms energy: -79.113157
where:
bonds (distance) C4'-P energy: -18.207
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -14.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -237.965915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.965915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.965915 (E_RNA)
where:
Base-Base interactions energy: -168.518
where: short stacking energy: -62.106
Base-Backbone interact. energy: 0.882
local terms energy: -70.330368
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -13.879
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -12.170
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -214.950195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.950195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.950195 (E_RNA)
where:
Base-Base interactions energy: -136.157
where: short stacking energy: -49.953
Base-Backbone interact. energy: -0.009
local terms energy: -78.784287
where:
bonds (distance) C4'-P energy: -15.246
bonds (distance) P-C4' energy: -14.628
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -18.240
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: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -190.384518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.384518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.384518 (E_RNA)
where:
Base-Base interactions energy: -117.637
where: short stacking energy: -47.893
Base-Backbone interact. energy: -0.085
local terms energy: -72.662703
where:
bonds (distance) C4'-P energy: -14.687
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -13.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -174.504409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.504409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.504409 (E_RNA)
where:
Base-Base interactions energy: -102.821
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.143
local terms energy: -71.540403
where:
bonds (distance) C4'-P energy: -10.040
bonds (distance) P-C4' energy: -12.431
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -12.852
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: 6, replica: 8
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -106.515539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.515539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.515539 (E_RNA)
where:
Base-Base interactions energy: -51.670
where: short stacking energy: -36.059
Base-Backbone interact. energy: -0.071
local terms energy: -54.774665
where:
bonds (distance) C4'-P energy: -11.648
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -11.113
tors. eta vs tors. theta energy: -2.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -93.842458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.842458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.842458 (E_RNA)
where:
Base-Base interactions energy: -34.700
where: short stacking energy: -33.185
Base-Backbone interact. energy: 0.774
local terms energy: -59.915776
where:
bonds (distance) C4'-P energy: -9.734
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -3.190
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: 8, replica: 7
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -94.826336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.826336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.826336 (E_RNA)
where:
Base-Base interactions energy: -40.950
where: short stacking energy: -40.791
Base-Backbone interact. energy: -0.289
local terms energy: -53.588163
where:
bonds (distance) C4'-P energy: -12.477
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -9.677
tors. eta vs tors. theta energy: -1.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -87.470616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.470616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.470616 (E_RNA)
where:
Base-Base interactions energy: -26.968
where: short stacking energy: -26.060
Base-Backbone interact. energy: -0.414
local terms energy: -60.089118
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -18.154
flat angles P-C4'-P energy: -5.647
tors. eta vs tors. theta energy: -2.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -82.942717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.942717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.942717 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -29.918
Base-Backbone interact. energy: -0.073
local terms energy: -49.297522
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -13.426
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: 0.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -248.484612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.484612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.484612 (E_RNA)
where:
Base-Base interactions energy: -169.344
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.411
local terms energy: -78.729764
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -12.366
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: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -240.162992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.162992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.162992 (E_RNA)
where:
Base-Base interactions energy: -172.043
where: short stacking energy: -63.495
Base-Backbone interact. energy: 1.465
local terms energy: -69.584432
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -8.280
tors. eta vs tors. theta energy: -15.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -213.622620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.622620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.622620 (E_RNA)
where:
Base-Base interactions energy: -141.819
where: short stacking energy: -68.653
Base-Backbone interact. energy: 0.019
local terms energy: -71.822947
where:
bonds (distance) C4'-P energy: -12.032
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -195.968769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.968769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.968769 (E_RNA)
where:
Base-Base interactions energy: -121.856
where: short stacking energy: -54.280
Base-Backbone interact. energy: 0.066
local terms energy: -74.178811
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -10.671
tors. eta vs tors. theta energy: -15.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -177.124693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.124693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.124693 (E_RNA)
where:
Base-Base interactions energy: -104.965
where: short stacking energy: -65.104
Base-Backbone interact. energy: -0.056
local terms energy: -72.104117
where:
bonds (distance) C4'-P energy: -15.165
bonds (distance) P-C4' energy: -12.365
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -17.721
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: 6, replica: 8
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -98.011304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.011304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.011304 (E_RNA)
where:
Base-Base interactions energy: -35.765
where: short stacking energy: -33.118
Base-Backbone interact. energy: -0.107
local terms energy: -62.139284
where:
bonds (distance) C4'-P energy: -17.688
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -12.466
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -107.216386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.216386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.216386 (E_RNA)
where:
Base-Base interactions energy: -47.980
where: short stacking energy: -38.120
Base-Backbone interact. energy: -0.092
local terms energy: -59.143652
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -5.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -88.159548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.159548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.159548 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -35.667
Base-Backbone interact. energy: -0.085
local terms energy: -52.032313
where:
bonds (distance) C4'-P energy: -9.380
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -5.174
tors. eta vs tors. theta energy: -2.949
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: 9, replica: 3
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -89.261076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.261076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.261076 (E_RNA)
where:
Base-Base interactions energy: -41.638
where: short stacking energy: -23.466
Base-Backbone interact. energy: -0.478
local terms energy: -47.145282
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -13.181
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -7.243
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: 5
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -83.016114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.016114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.016114 (E_RNA)
where:
Base-Base interactions energy: -26.491
where: short stacking energy: -26.491
Base-Backbone interact. energy: -0.896
local terms energy: -55.628425
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -8.070
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -246.629073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.629073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.629073 (E_RNA)
where:
Base-Base interactions energy: -170.218
where: short stacking energy: -60.999
Base-Backbone interact. energy: -0.740
local terms energy: -75.670768
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -238.875252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.875252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.875252 (E_RNA)
where:
Base-Base interactions energy: -168.840
where: short stacking energy: -66.913
Base-Backbone interact. energy: -0.014
local terms energy: -70.020763
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -2.771
tors. eta vs tors. theta energy: -13.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -204.576193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.576193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.576193 (E_RNA)
where:
Base-Base interactions energy: -127.039
where: short stacking energy: -57.674
Base-Backbone interact. energy: -0.019
local terms energy: -77.518039
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -10.088
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: 4, replica: 6
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -211.915361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.915361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.915361 (E_RNA)
where:
Base-Base interactions energy: -142.044
where: short stacking energy: -64.318
Base-Backbone interact. energy: -0.011
local terms energy: -69.860915
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -16.713
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -170.792977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.792977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.792977 (E_RNA)
where:
Base-Base interactions energy: -105.491
where: short stacking energy: -49.254
Base-Backbone interact. energy: -0.151
local terms energy: -65.151283
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.704
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -7.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -110.452885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.452885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.452885 (E_RNA)
where:
Base-Base interactions energy: -50.040
where: short stacking energy: -26.431
Base-Backbone interact. energy: -0.160
local terms energy: -60.252615
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.758
flat angles C4'-P-C4' energy: -12.095
flat angles P-C4'-P energy: -13.847
tors. eta vs tors. theta energy: -4.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -111.129770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.129770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.129770 (E_RNA)
where:
Base-Base interactions energy: -42.493
where: short stacking energy: -42.493
Base-Backbone interact. energy: -0.090
local terms energy: -68.545899
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -9.946
tors. eta vs tors. theta energy: -9.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -99.250184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.250184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.250184 (E_RNA)
where:
Base-Base interactions energy: -41.651
where: short stacking energy: -38.554
Base-Backbone interact. energy: -0.123
local terms energy: -57.476108
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -17.939
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -8.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -94.458284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.458284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.458284 (E_RNA)
where:
Base-Base interactions energy: -49.209
where: short stacking energy: -37.859
Base-Backbone interact. energy: -0.296
local terms energy: -44.952408
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -17.611
flat angles C4'-P-C4' energy: -7.775
flat angles P-C4'-P energy: -6.366
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: 10, replica: 5
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -79.100138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.100138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.100138 (E_RNA)
where:
Base-Base interactions energy: -26.653
where: short stacking energy: -26.068
Base-Backbone interact. energy: -0.604
local terms energy: -51.842728
where:
bonds (distance) C4'-P energy: -12.253
bonds (distance) P-C4' energy: -11.918
flat angles C4'-P-C4' energy: -14.284
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -4.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -237.651000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.651000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.651000 (E_RNA)
where:
Base-Base interactions energy: -165.973
where: short stacking energy: -56.537
Base-Backbone interact. energy: -0.576
local terms energy: -71.102436
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -10.041
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -10.916
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: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -239.203056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.203056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.203056 (E_RNA)
where:
Base-Base interactions energy: -162.427
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.156
local terms energy: -76.620032
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -15.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -211.884461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.884461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.884461 (E_RNA)
where:
Base-Base interactions energy: -131.547
where: short stacking energy: -69.950
Base-Backbone interact. energy: -0.366
local terms energy: -79.971004
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -18.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -194.931392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.931392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.931392 (E_RNA)
where:
Base-Base interactions energy: -119.194
where: short stacking energy: -60.378
Base-Backbone interact. energy: -0.013
local terms energy: -75.725351
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -14.445
flat angles P-C4'-P energy: -9.470
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -192.930755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.930755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.930755 (E_RNA)
where:
Base-Base interactions energy: -123.895
where: short stacking energy: -63.219
Base-Backbone interact. energy: -0.164
local terms energy: -68.871661
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -12.173
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -15.921
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: 7
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -104.002217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.002217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.002217 (E_RNA)
where:
Base-Base interactions energy: -47.318
where: short stacking energy: -37.447
Base-Backbone interact. energy: 0.003
local terms energy: -56.687618
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -14.130
flat angles C4'-P-C4' energy: -13.759
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -96.886364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.886364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.886364 (E_RNA)
where:
Base-Base interactions energy: -31.498
where: short stacking energy: -32.398
Base-Backbone interact. energy: -0.117
local terms energy: -65.271052
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.062
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -9.783
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: 170
Temperature: 1.250000
Total energy: -91.263531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.263531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.263531 (E_RNA)
where:
Base-Base interactions energy: -39.615
where: short stacking energy: -38.189
Base-Backbone interact. energy: -0.033
local terms energy: -51.615949
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -11.457
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -10.114
tors. eta vs tors. theta energy: -7.329
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: 5
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -85.760928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760928 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -27.996
Base-Backbone interact. energy: -0.187
local terms energy: -57.577561
where:
bonds (distance) C4'-P energy: -12.949
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -3.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -97.365817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.365817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.365817 (E_RNA)
where:
Base-Base interactions energy: -42.815
where: short stacking energy: -35.254
Base-Backbone interact. energy: 0.667
local terms energy: -55.218145
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -8.972
flat angles P-C4'-P energy: -8.282
tors. eta vs tors. theta energy: -3.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -252.968323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.968323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.968323 (E_RNA)
where:
Base-Base interactions energy: -181.145
where: short stacking energy: -72.809
Base-Backbone interact. energy: 1.219
local terms energy: -73.041833
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -19.391
flat angles C4'-P-C4' energy: -12.626
flat angles P-C4'-P energy: -9.914
tors. eta vs tors. theta energy: -17.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -216.475328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.475328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.475328 (E_RNA)
where:
Base-Base interactions energy: -135.530
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.107
local terms energy: -80.838363
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.022
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -230.206276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.206276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.206276 (E_RNA)
where:
Base-Base interactions energy: -154.632
where: short stacking energy: -67.089
Base-Backbone interact. energy: -0.977
local terms energy: -74.597916
where:
bonds (distance) C4'-P energy: -11.514
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -16.691
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -14.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -198.581497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.581497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.581497 (E_RNA)
where:
Base-Base interactions energy: -128.783
where: short stacking energy: -68.622
Base-Backbone interact. energy: -0.158
local terms energy: -69.641303
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -8.463
tors. eta vs tors. theta energy: -13.943
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: 9
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -193.475070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.475070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.475070 (E_RNA)
where:
Base-Base interactions energy: -124.508
where: short stacking energy: -60.906
Base-Backbone interact. energy: 0.467
local terms energy: -69.433573
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -11.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -113.765024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.765024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.765024 (E_RNA)
where:
Base-Base interactions energy: -43.703
where: short stacking energy: -43.903
Base-Backbone interact. energy: -0.670
local terms energy: -69.391774
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -15.689
flat angles P-C4'-P energy: -11.630
tors. eta vs tors. theta energy: -8.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -109.275685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.275685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.275685 (E_RNA)
where:
Base-Base interactions energy: -53.489
where: short stacking energy: -53.042
Base-Backbone interact. energy: -0.221
local terms energy: -55.564887
where:
bonds (distance) C4'-P energy: -9.732
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -8.083
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: 8, replica: 5
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -99.029243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.029243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.029243 (E_RNA)
where:
Base-Base interactions energy: -44.756
where: short stacking energy: -33.525
Base-Backbone interact. energy: -0.097
local terms energy: -54.176061
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -3.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -91.406938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.406938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.406938 (E_RNA)
where:
Base-Base interactions energy: -32.016
where: short stacking energy: -30.488
Base-Backbone interact. energy: -0.296
local terms energy: -59.094847
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.949
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: 10, replica: 10
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -82.839514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.839514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.839514 (E_RNA)
where:
Base-Base interactions energy: -39.568
where: short stacking energy: -26.950
Base-Backbone interact. energy: 0.156
local terms energy: -43.427544
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -11.531
flat angles C4'-P-C4' energy: -14.111
flat angles P-C4'-P energy: -3.993
tors. eta vs tors. theta energy: 0.191
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: 6
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -223.644441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.644441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.644441 (E_RNA)
where:
Base-Base interactions energy: -151.587
where: short stacking energy: -62.775
Base-Backbone interact. energy: -0.182
local terms energy: -71.875246
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -18.015
flat angles P-C4'-P energy: -11.281
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: 2, replica: 1
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -239.774411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.774411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.774411 (E_RNA)
where:
Base-Base interactions energy: -170.759
where: short stacking energy: -66.439
Base-Backbone interact. energy: -0.536
local terms energy: -68.478961
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -14.103
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -11.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -242.712674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.712674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.712674 (E_RNA)
where:
Base-Base interactions energy: -169.315
where: short stacking energy: -63.282
Base-Backbone interact. energy: -0.987
local terms energy: -72.410837
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -14.599
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -4.743
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -204.041000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.041000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.041000 (E_RNA)
where:
Base-Base interactions energy: -127.729
where: short stacking energy: -69.133
Base-Backbone interact. energy: 1.515
local terms energy: -77.826730
where:
bonds (distance) C4'-P energy: -11.019
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -18.314
flat angles P-C4'-P energy: -14.117
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: 5, replica: 9
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -188.134844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.134844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.134844 (E_RNA)
where:
Base-Base interactions energy: -123.049
where: short stacking energy: -53.265
Base-Backbone interact. energy: -0.175
local terms energy: -64.910583
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -12.209
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -116.940814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.940814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.940814 (E_RNA)
where:
Base-Base interactions energy: -56.981
where: short stacking energy: -56.981
Base-Backbone interact. energy: -0.013
local terms energy: -59.946082
where:
bonds (distance) C4'-P energy: -16.815
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -0.735
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -106.729115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.729115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.729115 (E_RNA)
where:
Base-Base interactions energy: -51.921
where: short stacking energy: -47.516
Base-Backbone interact. energy: 0.898
local terms energy: -55.706855
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -15.507
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -3.877
tors. eta vs tors. theta energy: -12.368
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: 7
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -89.605632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.605632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.605632 (E_RNA)
where:
Base-Base interactions energy: -33.173
where: short stacking energy: -33.173
Base-Backbone interact. energy: 0.215
local terms energy: -56.647203
where:
bonds (distance) C4'-P energy: -6.970
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -13.492
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: 9, replica: 10
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -82.173355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.173355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.173355 (E_RNA)
where:
Base-Base interactions energy: -29.412
where: short stacking energy: -26.250
Base-Backbone interact. energy: -0.216
local terms energy: -52.545680
where:
bonds (distance) C4'-P energy: -17.250
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -7.214
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: 10, replica: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -76.501863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.501863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.501863 (E_RNA)
where:
Base-Base interactions energy: -31.368
where: short stacking energy: -27.720
Base-Backbone interact. energy: -0.043
local terms energy: -45.090931
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -12.767
flat angles C4'-P-C4' energy: -10.153
flat angles P-C4'-P energy: -6.392
tors. eta vs tors. theta energy: 1.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -230.983880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.983880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.983880 (E_RNA)
where:
Base-Base interactions energy: -153.357
where: short stacking energy: -68.277
Base-Backbone interact. energy: 2.140
local terms energy: -79.766975
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -240.902865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.902865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.902865 (E_RNA)
where:
Base-Base interactions energy: -171.798
where: short stacking energy: -71.204
Base-Backbone interact. energy: -0.258
local terms energy: -68.846197
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -15.863
flat angles P-C4'-P energy: -9.736
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: 3, replica: 2
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -238.489782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.489782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.489782 (E_RNA)
where:
Base-Base interactions energy: -163.099
where: short stacking energy: -73.074
Base-Backbone interact. energy: 0.857
local terms energy: -76.248382
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -17.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -216.120824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.120824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.120824 (E_RNA)
where:
Base-Base interactions energy: -140.691
where: short stacking energy: -74.706
Base-Backbone interact. energy: -0.178
local terms energy: -75.251614
where:
bonds (distance) C4'-P energy: -11.547
bonds (distance) P-C4' energy: -17.857
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -20.293
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: 9
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -193.109184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.109184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.109184 (E_RNA)
where:
Base-Base interactions energy: -117.304
where: short stacking energy: -62.652
Base-Backbone interact. energy: 0.299
local terms energy: -76.104066
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.478
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -98.760387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.760387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.760387 (E_RNA)
where:
Base-Base interactions energy: -34.986
where: short stacking energy: -33.379
Base-Backbone interact. energy: -0.137
local terms energy: -63.637235
where:
bonds (distance) C4'-P energy: -15.243
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -14.874
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -94.838404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.838404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.838404 (E_RNA)
where:
Base-Base interactions energy: -37.661
where: short stacking energy: -37.661
Base-Backbone interact. energy: -0.240
local terms energy: -56.938158
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -10.440
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: 10
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -97.183517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.183517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.183517 (E_RNA)
where:
Base-Base interactions energy: -45.383
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.119
local terms energy: -51.681546
where:
bonds (distance) C4'-P energy: -11.653
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -10.914
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -81.479682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.479682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.479682 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -13.820
Base-Backbone interact. energy: 0.726
local terms energy: -47.620303
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -9.020
flat angles P-C4'-P energy: -8.087
tors. eta vs tors. theta energy: 1.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -87.269173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.269173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.269173 (E_RNA)
where:
Base-Base interactions energy: -35.836
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.357
local terms energy: -51.076313
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -8.206
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -2.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -245.161625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.161625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.161625 (E_RNA)
where:
Base-Base interactions energy: -171.003
where: short stacking energy: -65.865
Base-Backbone interact. energy: 0.022
local terms energy: -74.181080
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -10.702
tors. eta vs tors. theta energy: -13.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -216.212553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.212553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.212553 (E_RNA)
where:
Base-Base interactions energy: -145.191
where: short stacking energy: -66.347
Base-Backbone interact. energy: 0.210
local terms energy: -71.231212
where:
bonds (distance) C4'-P energy: -9.484
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -15.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -220.011544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.011544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.011544 (E_RNA)
where:
Base-Base interactions energy: -158.066
where: short stacking energy: -58.266
Base-Backbone interact. energy: -0.471
local terms energy: -61.473985
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -10.887
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -184.874581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.874581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.874581 (E_RNA)
where:
Base-Base interactions energy: -106.360
where: short stacking energy: -68.632
Base-Backbone interact. energy: -0.810
local terms energy: -77.705016
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -13.191
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -187.603527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.603527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.603527 (E_RNA)
where:
Base-Base interactions energy: -128.209
where: short stacking energy: -47.439
Base-Backbone interact. energy: -0.384
local terms energy: -59.010491
where:
bonds (distance) C4'-P energy: -13.848
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -13.125
flat angles P-C4'-P energy: -6.119
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -102.465380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.465380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.465380 (E_RNA)
where:
Base-Base interactions energy: -39.718
where: short stacking energy: -39.718
Base-Backbone interact. energy: 0.080
local terms energy: -62.827056
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -12.263
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -4.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -126.995782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.995782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.995782 (E_RNA)
where:
Base-Base interactions energy: -74.548
where: short stacking energy: -42.055
Base-Backbone interact. energy: 0.792
local terms energy: -53.239591
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -12.639
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.434
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: 8, replica: 3
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -101.500871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.500871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.500871 (E_RNA)
where:
Base-Base interactions energy: -40.803
where: short stacking energy: -30.705
Base-Backbone interact. energy: -0.694
local terms energy: -60.004353
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.469
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -11.829
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -95.494668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494668 (E_RNA)
where:
Base-Base interactions energy: -40.260
where: short stacking energy: -32.019
Base-Backbone interact. energy: -0.163
local terms energy: -55.071326
where:
bonds (distance) C4'-P energy: -14.488
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.165
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -3.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -96.096641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.096641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.096641 (E_RNA)
where:
Base-Base interactions energy: -27.873
where: short stacking energy: -18.235
Base-Backbone interact. energy: -0.069
local terms energy: -68.154663
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -13.493
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -240.353842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.353842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.353842 (E_RNA)
where:
Base-Base interactions energy: -164.667
where: short stacking energy: -56.143
Base-Backbone interact. energy: 0.678
local terms energy: -76.365048
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -12.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -243.254829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.254829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.254829 (E_RNA)
where:
Base-Base interactions energy: -173.332
where: short stacking energy: -69.723
Base-Backbone interact. energy: -0.296
local terms energy: -69.627202
where:
bonds (distance) C4'-P energy: -15.003
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -225.470592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.470592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.470592 (E_RNA)
where:
Base-Base interactions energy: -152.253
where: short stacking energy: -62.654
Base-Backbone interact. energy: -0.195
local terms energy: -73.022890
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -17.137
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -14.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -190.073296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.073296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.073296 (E_RNA)
where:
Base-Base interactions energy: -117.309
where: short stacking energy: -47.155
Base-Backbone interact. energy: -0.212
local terms energy: -72.552423
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -17.442
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -13.758
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: 5, replica: 4
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -177.491189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.491189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.491189 (E_RNA)
where:
Base-Base interactions energy: -106.017
where: short stacking energy: -51.866
Base-Backbone interact. energy: -1.107
local terms energy: -70.367372
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -11.380
tors. eta vs tors. theta energy: -12.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -146.796528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.796528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.796528 (E_RNA)
where:
Base-Base interactions energy: -87.055
where: short stacking energy: -48.504
Base-Backbone interact. energy: -0.105
local terms energy: -59.636313
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -10.835
flat angles P-C4'-P energy: -4.703
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: 5
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -105.328862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.328862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.328862 (E_RNA)
where:
Base-Base interactions energy: -41.859
where: short stacking energy: -40.359
Base-Backbone interact. energy: -0.045
local terms energy: -63.425546
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -14.766
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -7.028
tors. eta vs tors. theta energy: -10.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -100.760338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.760338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.760338 (E_RNA)
where:
Base-Base interactions energy: -42.600
where: short stacking energy: -23.018
Base-Backbone interact. energy: -0.436
local terms energy: -57.724076
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -11.521
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -8.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -90.194354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.194354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.194354 (E_RNA)
where:
Base-Base interactions energy: -46.401
where: short stacking energy: -31.726
Base-Backbone interact. energy: 1.037
local terms energy: -44.829434
where:
bonds (distance) C4'-P energy: -9.485
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: 0.417
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: 7
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -84.476458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.476458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.476458 (E_RNA)
where:
Base-Base interactions energy: -24.351
where: short stacking energy: -24.351
Base-Backbone interact. energy: -0.296
local terms energy: -59.830338
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -10.446
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: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -249.645665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.645665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.645665 (E_RNA)
where:
Base-Base interactions energy: -184.371
where: short stacking energy: -64.478
Base-Backbone interact. energy: -0.551
local terms energy: -64.723560
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -16.342
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -14.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -237.364760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.364760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.364760 (E_RNA)
where:
Base-Base interactions energy: -162.077
where: short stacking energy: -62.317
Base-Backbone interact. energy: 0.452
local terms energy: -75.740255
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -19.448
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -205.543144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.543144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.543144 (E_RNA)
where:
Base-Base interactions energy: -134.047
where: short stacking energy: -62.051
Base-Backbone interact. energy: -1.181
local terms energy: -70.315554
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.821
tors. eta vs tors. theta energy: -14.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -202.348242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.348242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.348242 (E_RNA)
where:
Base-Base interactions energy: -142.446
where: short stacking energy: -47.822
Base-Backbone interact. energy: -1.381
local terms energy: -58.520788
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -13.629
flat angles C4'-P-C4' energy: -11.726
flat angles P-C4'-P energy: -4.187
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: 10
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -173.300575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.300575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.300575 (E_RNA)
where:
Base-Base interactions energy: -107.633
where: short stacking energy: -69.340
Base-Backbone interact. energy: -0.006
local terms energy: -65.661051
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -13.263
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -15.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -179.966662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.966662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.966662 (E_RNA)
where:
Base-Base interactions energy: -108.093
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.033
local terms energy: -71.840335
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -10.827
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -13.659
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -101.762482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.762482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.762482 (E_RNA)
where:
Base-Base interactions energy: -43.802
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.191
local terms energy: -57.769376
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -14.051
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -7.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -101.948034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.948034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.948034 (E_RNA)
where:
Base-Base interactions energy: -41.840
where: short stacking energy: -40.758
Base-Backbone interact. energy: 2.396
local terms energy: -62.504298
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -11.598
flat angles C4'-P-C4' energy: -14.619
flat angles P-C4'-P energy: -13.359
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: 9, replica: 8
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -89.220781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.220781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.220781 (E_RNA)
where:
Base-Base interactions energy: -32.885
where: short stacking energy: -24.876
Base-Backbone interact. energy: -0.152
local terms energy: -56.183165
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.605
tors. eta vs tors. theta energy: 3.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -80.583925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.583925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.583925 (E_RNA)
where:
Base-Base interactions energy: -31.657
where: short stacking energy: -31.657
Base-Backbone interact. energy: 0.415
local terms energy: -49.342358
where:
bonds (distance) C4'-P energy: -19.059
bonds (distance) P-C4' energy: -13.103
flat angles C4'-P-C4' energy: -6.892
flat angles P-C4'-P energy: -11.175
tors. eta vs tors. theta energy: 0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -252.412596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.412596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.412596 (E_RNA)
where:
Base-Base interactions energy: -170.401
where: short stacking energy: -71.408
Base-Backbone interact. energy: -0.287
local terms energy: -81.723956
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -11.610
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: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -245.619338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.619338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.619338 (E_RNA)
where:
Base-Base interactions energy: -174.398
where: short stacking energy: -66.756
Base-Backbone interact. energy: -0.466
local terms energy: -70.754958
where:
bonds (distance) C4'-P energy: -13.096
bonds (distance) P-C4' energy: -13.019
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -15.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -214.398277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.398277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.398277 (E_RNA)
where:
Base-Base interactions energy: -138.993
where: short stacking energy: -63.693
Base-Backbone interact. energy: -0.965
local terms energy: -74.440055
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -15.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -190.104826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.104826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.104826 (E_RNA)
where:
Base-Base interactions energy: -111.845
where: short stacking energy: -56.597
Base-Backbone interact. energy: 0.690
local terms energy: -78.949854
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -18.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -226.505724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.505724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.505724 (E_RNA)
where:
Base-Base interactions energy: -152.974
where: short stacking energy: -57.886
Base-Backbone interact. energy: -0.609
local terms energy: -72.923102
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -7.350
tors. eta vs tors. theta energy: -16.871
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: 6, replica: 4
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -149.983907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.983907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.983907 (E_RNA)
where:
Base-Base interactions energy: -84.201
where: short stacking energy: -48.095
Base-Backbone interact. energy: -0.629
local terms energy: -65.153732
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.993
flat angles P-C4'-P energy: -7.453
tors. eta vs tors. theta energy: -8.746
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: 177
Temperature: 1.200000
Total energy: -95.794633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.794633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.794633 (E_RNA)
where:
Base-Base interactions energy: -34.150
where: short stacking energy: -33.135
Base-Backbone interact. energy: 0.010
local terms energy: -61.653951
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -10.821
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -7.749
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: 8
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -110.518645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.518645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.518645 (E_RNA)
where:
Base-Base interactions energy: -44.099
where: short stacking energy: -30.134
Base-Backbone interact. energy: -0.133
local terms energy: -66.286248
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -14.602
tors. eta vs tors. theta energy: -2.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -104.504776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.504776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.504776 (E_RNA)
where:
Base-Base interactions energy: -47.293
where: short stacking energy: -31.044
Base-Backbone interact. energy: -0.526
local terms energy: -56.685860
where:
bonds (distance) C4'-P energy: -10.784
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -15.730
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -78.819980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.819980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.819980 (E_RNA)
where:
Base-Base interactions energy: -31.004
where: short stacking energy: -28.978
Base-Backbone interact. energy: -0.254
local terms energy: -47.561957
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -2.418
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -246.415033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.415033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.415033 (E_RNA)
where:
Base-Base interactions energy: -167.002
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.286
local terms energy: -79.127477
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -17.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -242.393305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.393305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.393305 (E_RNA)
where:
Base-Base interactions energy: -173.959
where: short stacking energy: -61.502
Base-Backbone interact. energy: 0.507
local terms energy: -68.941361
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -10.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -215.890266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.890266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.890266 (E_RNA)
where:
Base-Base interactions energy: -139.595
where: short stacking energy: -64.709
Base-Backbone interact. energy: -0.596
local terms energy: -75.699598
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -195.927537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.927537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.927537 (E_RNA)
where:
Base-Base interactions energy: -131.468
where: short stacking energy: -62.251
Base-Backbone interact. energy: -1.352
local terms energy: -63.107406
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -17.690
flat angles P-C4'-P energy: -6.058
tors. eta vs tors. theta energy: -10.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -214.487408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.487408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.487408 (E_RNA)
where:
Base-Base interactions energy: -135.505
where: short stacking energy: -56.371
Base-Backbone interact. energy: -1.616
local terms energy: -77.366341
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -17.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -163.137064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.137064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.137064 (E_RNA)
where:
Base-Base interactions energy: -96.895
where: short stacking energy: -51.094
Base-Backbone interact. energy: -0.112
local terms energy: -66.129906
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -9.792
tors. eta vs tors. theta energy: -10.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -149.087753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.087753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.087753 (E_RNA)
where:
Base-Base interactions energy: -89.605
where: short stacking energy: -39.532
Base-Backbone interact. energy: -0.509
local terms energy: -58.974106
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -14.877
flat angles C4'-P-C4' energy: -13.293
flat angles P-C4'-P energy: -8.026
tors. eta vs tors. theta energy: -6.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -94.965703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.965703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.965703 (E_RNA)
where:
Base-Base interactions energy: -38.153
where: short stacking energy: -37.049
Base-Backbone interact. energy: -0.086
local terms energy: -56.726163
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -13.264
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -6.259
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: 9, replica: 5
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -88.491639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.491639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.491639 (E_RNA)
where:
Base-Base interactions energy: -40.718
where: short stacking energy: -38.840
Base-Backbone interact. energy: -0.263
local terms energy: -47.511088
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -11.056
flat angles P-C4'-P energy: -6.541
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: 10, replica: 7
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -78.285064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.285064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.285064 (E_RNA)
where:
Base-Base interactions energy: -24.335
where: short stacking energy: -21.984
Base-Backbone interact. energy: -0.668
local terms energy: -53.282246
where:
bonds (distance) C4'-P energy: -15.156
bonds (distance) P-C4' energy: -14.402
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: 1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -240.139312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.139312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.139312 (E_RNA)
where:
Base-Base interactions energy: -169.450
where: short stacking energy: -68.817
Base-Backbone interact. energy: -0.251
local terms energy: -70.438550
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -15.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -219.090489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.090489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.090489 (E_RNA)
where:
Base-Base interactions energy: -141.515
where: short stacking energy: -61.602
Base-Backbone interact. energy: -0.490
local terms energy: -77.084840
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -10.247
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: 3, replica: 1
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -234.326672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.326672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.326672 (E_RNA)
where:
Base-Base interactions energy: -158.438
where: short stacking energy: -57.157
Base-Backbone interact. energy: -0.375
local terms energy: -75.513815
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.674
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: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -225.140770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.140770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.140770 (E_RNA)
where:
Base-Base interactions energy: -149.108
where: short stacking energy: -60.826
Base-Backbone interact. energy: -0.459
local terms energy: -75.573336
where:
bonds (distance) C4'-P energy: -12.787
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.435
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -193.765004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.765004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.765004 (E_RNA)
where:
Base-Base interactions energy: -120.911
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.189
local terms energy: -72.664973
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -9.271
tors. eta vs tors. theta energy: -14.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -164.546030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.546030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.546030 (E_RNA)
where:
Base-Base interactions energy: -97.150
where: short stacking energy: -42.324
Base-Backbone interact. energy: -0.785
local terms energy: -66.611471
where:
bonds (distance) C4'-P energy: -11.802
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -12.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -148.631809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.631809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.631809 (E_RNA)
where:
Base-Base interactions energy: -77.825
where: short stacking energy: -40.040
Base-Backbone interact. energy: -0.104
local terms energy: -70.702691
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -97.329422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.329422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.329422 (E_RNA)
where:
Base-Base interactions energy: -43.144
where: short stacking energy: -41.822
Base-Backbone interact. energy: -0.040
local terms energy: -54.144983
where:
bonds (distance) C4'-P energy: -12.640
bonds (distance) P-C4' energy: -14.090
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -5.443
tors. eta vs tors. theta energy: -7.760
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: 9, replica: 5
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -80.597872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.597872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.597872 (E_RNA)
where:
Base-Base interactions energy: -22.400
where: short stacking energy: -22.255
Base-Backbone interact. energy: -0.033
local terms energy: -58.164691
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -6.395
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: 10, replica: 7
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -91.265081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.265081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.265081 (E_RNA)
where:
Base-Base interactions energy: -52.926
where: short stacking energy: -37.323
Base-Backbone interact. energy: 2.919
local terms energy: -41.257246
where:
bonds (distance) C4'-P energy: -4.793
bonds (distance) P-C4' energy: -9.775
flat angles C4'-P-C4' energy: -15.827
flat angles P-C4'-P energy: -5.649
tors. eta vs tors. theta energy: -5.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -251.626147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.626147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.626147 (E_RNA)
where:
Base-Base interactions energy: -170.003
where: short stacking energy: -75.046
Base-Backbone interact. energy: -0.274
local terms energy: -81.348695
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -14.734
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -235.018185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.018185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.018185 (E_RNA)
where:
Base-Base interactions energy: -155.405
where: short stacking energy: -66.635
Base-Backbone interact. energy: -2.129
local terms energy: -77.484383
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -14.997
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -13.110
tors. eta vs tors. theta energy: -15.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -228.799180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.799180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.799180 (E_RNA)
where:
Base-Base interactions energy: -148.567
where: short stacking energy: -68.295
Base-Backbone interact. energy: -1.424
local terms energy: -78.807887
where:
bonds (distance) C4'-P energy: -19.610
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -15.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -231.304623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.304623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.304623 (E_RNA)
where:
Base-Base interactions energy: -168.687
where: short stacking energy: -68.880
Base-Backbone interact. energy: -0.760
local terms energy: -61.857150
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -13.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -190.760932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.760932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.760932 (E_RNA)
where:
Base-Base interactions energy: -119.350
where: short stacking energy: -57.570
Base-Backbone interact. energy: -0.017
local terms energy: -71.393610
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -13.721
flat angles P-C4'-P energy: -7.007
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -180.460064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.460064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.460064 (E_RNA)
where:
Base-Base interactions energy: -108.955
where: short stacking energy: -60.879
Base-Backbone interact. energy: -0.117
local terms energy: -71.387801
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -11.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -157.589766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.589766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.589766 (E_RNA)
where:
Base-Base interactions energy: -105.040
where: short stacking energy: -53.303
Base-Backbone interact. energy: 1.070
local terms energy: -53.619362
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -6.945
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -89.917024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.917024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.917024 (E_RNA)
where:
Base-Base interactions energy: -36.148
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.197
local terms energy: -53.572071
where:
bonds (distance) C4'-P energy: -16.629
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -9.942
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: 7
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -92.407131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.407131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.407131 (E_RNA)
where:
Base-Base interactions energy: -37.706
where: short stacking energy: -37.706
Base-Backbone interact. energy: -0.355
local terms energy: -54.346979
where:
bonds (distance) C4'-P energy: -8.321
bonds (distance) P-C4' energy: -12.065
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.081
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: 10, replica: 5
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -93.188652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.188652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.188652 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -31.729
Base-Backbone interact. energy: -0.116
local terms energy: -50.800401
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -14.322
flat angles C4'-P-C4' energy: -15.669
flat angles P-C4'-P energy: -9.638
tors. eta vs tors. theta energy: 2.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -241.581559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.581559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.581559 (E_RNA)
where:
Base-Base interactions energy: -162.304
where: short stacking energy: -70.498
Base-Backbone interact. energy: -0.481
local terms energy: -78.796416
where:
bonds (distance) C4'-P energy: -14.163
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -19.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -236.857156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.857156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.857156 (E_RNA)
where:
Base-Base interactions energy: -149.785
where: short stacking energy: -64.940
Base-Backbone interact. energy: -2.072
local terms energy: -85.000245
where:
bonds (distance) C4'-P energy: -15.176
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -12.145
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: 3, replica: 6
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -241.357829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.357829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.357829 (E_RNA)
where:
Base-Base interactions energy: -163.743
where: short stacking energy: -63.382
Base-Backbone interact. energy: -0.142
local terms energy: -77.472571
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -19.207
flat angles P-C4'-P energy: -9.075
tors. eta vs tors. theta energy: -16.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -231.840494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.840494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.840494 (E_RNA)
where:
Base-Base interactions energy: -160.660
where: short stacking energy: -61.591
Base-Backbone interact. energy: -0.837
local terms energy: -70.343229
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -11.716
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -211.489353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.489353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.489353 (E_RNA)
where:
Base-Base interactions energy: -137.366
where: short stacking energy: -59.825
Base-Backbone interact. energy: -0.588
local terms energy: -73.535110
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -10.375
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -160.135513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.135513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.135513 (E_RNA)
where:
Base-Base interactions energy: -102.756
where: short stacking energy: -36.623
Base-Backbone interact. energy: -0.670
local terms energy: -56.709758
where:
bonds (distance) C4'-P energy: -9.368
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -12.666
tors. eta vs tors. theta energy: -7.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -157.423671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.423671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.423671 (E_RNA)
where:
Base-Base interactions energy: -94.898
where: short stacking energy: -49.911
Base-Backbone interact. energy: -0.287
local terms energy: -62.239261
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -9.755
flat angles C4'-P-C4' energy: -12.267
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -98.464875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.464875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.464875 (E_RNA)
where:
Base-Base interactions energy: -46.622
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.175
local terms energy: -51.668439
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -13.608
flat angles C4'-P-C4' energy: -9.726
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -7.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -86.201723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.201723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.201723 (E_RNA)
where:
Base-Base interactions energy: -32.667
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.058
local terms energy: -53.476150
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -11.291
flat angles P-C4'-P energy: -11.119
tors. eta vs tors. theta energy: -0.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -95.987837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.987837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.987837 (E_RNA)
where:
Base-Base interactions energy: -41.814
where: short stacking energy: -34.028
Base-Backbone interact. energy: 0.893
local terms energy: -55.066605
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -10.334
tors. eta vs tors. theta energy: -1.768
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: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -252.016882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.016882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.016882 (E_RNA)
where:
Base-Base interactions energy: -179.237
where: short stacking energy: -67.428
Base-Backbone interact. energy: -0.368
local terms energy: -72.412371
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -244.541496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.541496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.541496 (E_RNA)
where:
Base-Base interactions energy: -163.632
where: short stacking energy: -65.165
Base-Backbone interact. energy: 1.032
local terms energy: -81.941397
where:
bonds (distance) C4'-P energy: -16.273
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -11.705
tors. eta vs tors. theta energy: -19.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -248.759588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.759588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.759588 (E_RNA)
where:
Base-Base interactions energy: -176.455
where: short stacking energy: -73.505
Base-Backbone interact. energy: 0.250
local terms energy: -72.553919
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -18.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -206.564796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.564796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.564796 (E_RNA)
where:
Base-Base interactions energy: -136.264
where: short stacking energy: -58.012
Base-Backbone interact. energy: 0.072
local terms energy: -70.372528
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -207.187454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.187454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.187454 (E_RNA)
where:
Base-Base interactions energy: -137.378
where: short stacking energy: -70.176
Base-Backbone interact. energy: -1.548
local terms energy: -68.261630
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -11.132
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -8.888
tors. eta vs tors. theta energy: -19.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -168.069172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.069172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.069172 (E_RNA)
where:
Base-Base interactions energy: -99.768
where: short stacking energy: -46.286
Base-Backbone interact. energy: -0.556
local terms energy: -67.744455
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -17.902
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -9.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -148.915086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.915086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.915086 (E_RNA)
where:
Base-Base interactions energy: -81.481
where: short stacking energy: -43.190
Base-Backbone interact. energy: -0.142
local terms energy: -67.292854
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -12.944
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -89.515866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.515866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.515866 (E_RNA)
where:
Base-Base interactions energy: -37.802
where: short stacking energy: -27.484
Base-Backbone interact. energy: -0.193
local terms energy: -51.521152
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: 1.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -97.646334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.646334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.646334 (E_RNA)
where:
Base-Base interactions energy: -41.133
where: short stacking energy: -34.500
Base-Backbone interact. energy: -0.181
local terms energy: -56.332581
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -9.527
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -7.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -80.453158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.453158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.453158 (E_RNA)
where:
Base-Base interactions energy: -26.752
where: short stacking energy: -25.311
Base-Backbone interact. energy: -1.234
local terms energy: -52.467901
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -8.728
flat angles P-C4'-P energy: -11.553
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: 1, replica: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -249.498721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.498721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.498721 (E_RNA)
where:
Base-Base interactions energy: -183.218
where: short stacking energy: -66.576
Base-Backbone interact. energy: 0.607
local terms energy: -66.887082
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -8.289
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: -15.376
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: 6
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -250.979798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.979798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.979798 (E_RNA)
where:
Base-Base interactions energy: -167.960
where: short stacking energy: -73.915
Base-Backbone interact. energy: -0.754
local terms energy: -82.265269
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -9.102
tors. eta vs tors. theta energy: -19.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -241.735595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.735595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.735595 (E_RNA)
where:
Base-Base interactions energy: -165.665
where: short stacking energy: -72.571
Base-Backbone interact. energy: -0.354
local terms energy: -75.716600
where:
bonds (distance) C4'-P energy: -17.233
bonds (distance) P-C4' energy: -13.475
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -11.760
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -199.532840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.532840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.532840 (E_RNA)
where:
Base-Base interactions energy: -125.767
where: short stacking energy: -51.733
Base-Backbone interact. energy: -0.197
local terms energy: -73.568175
where:
bonds (distance) C4'-P energy: -13.327
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -13.261
tors. eta vs tors. theta energy: -14.891
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: 5, replica: 1
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -183.022950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.022950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.022950 (E_RNA)
where:
Base-Base interactions energy: -127.802
where: short stacking energy: -39.006
Base-Backbone interact. energy: -0.245
local terms energy: -54.975622
where:
bonds (distance) C4'-P energy: -13.391
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -156.871092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.871092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.871092 (E_RNA)
where:
Base-Base interactions energy: -96.692
where: short stacking energy: -50.480
Base-Backbone interact. energy: -0.202
local terms energy: -59.977071
where:
bonds (distance) C4'-P energy: -9.825
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -13.420
flat angles P-C4'-P energy: -10.366
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: 7, replica: 10
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -155.549038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.549038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.549038 (E_RNA)
where:
Base-Base interactions energy: -93.567
where: short stacking energy: -40.968
Base-Backbone interact. energy: 0.154
local terms energy: -62.136315
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -9.819
tors. eta vs tors. theta energy: -8.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -102.386598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.386598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.386598 (E_RNA)
where:
Base-Base interactions energy: -46.187
where: short stacking energy: -44.860
Base-Backbone interact. energy: 0.148
local terms energy: -56.347792
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -10.710
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -10.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -90.287531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.287531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.287531 (E_RNA)
where:
Base-Base interactions energy: -27.911
where: short stacking energy: -27.911
Base-Backbone interact. energy: -0.455
local terms energy: -61.921996
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -10.575
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: 10, replica: 3
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -77.840585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.840585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.840585 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -28.708
Base-Backbone interact. energy: 0.039
local terms energy: -40.858566
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -13.479
flat angles C4'-P-C4' energy: -8.253
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: 3.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -258.532721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.532721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.532721 (E_RNA)
where:
Base-Base interactions energy: -181.180
where: short stacking energy: -81.311
Base-Backbone interact. energy: -0.040
local terms energy: -77.312722
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -18.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -253.116527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.116527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.116527 (E_RNA)
where:
Base-Base interactions energy: -180.277
where: short stacking energy: -64.941
Base-Backbone interact. energy: 0.429
local terms energy: -73.268682
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -15.318
flat angles P-C4'-P energy: -9.760
tors. eta vs tors. theta energy: -16.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -243.055683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.055683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.055683 (E_RNA)
where:
Base-Base interactions energy: -159.908
where: short stacking energy: -62.725
Base-Backbone interact. energy: -0.314
local terms energy: -82.833677
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -10.704
tors. eta vs tors. theta energy: -17.628
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: 4, replica: 4
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -198.884006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.884006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.884006 (E_RNA)
where:
Base-Base interactions energy: -127.066
where: short stacking energy: -63.756
Base-Backbone interact. energy: -0.001
local terms energy: -71.817180
where:
bonds (distance) C4'-P energy: -10.866
bonds (distance) P-C4' energy: -12.727
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -18.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -173.339995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.339995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.339995 (E_RNA)
where:
Base-Base interactions energy: -102.839
where: short stacking energy: -47.146
Base-Backbone interact. energy: -0.293
local terms energy: -70.208114
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -17.869
flat angles C4'-P-C4' energy: -15.590
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -221.870243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.870243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.870243 (E_RNA)
where:
Base-Base interactions energy: -153.459
where: short stacking energy: -56.615
Base-Backbone interact. energy: -0.355
local terms energy: -68.055892
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -15.459
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -9.419
tors. eta vs tors. theta energy: -11.616
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: 10
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -146.368472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.368472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.368472 (E_RNA)
where:
Base-Base interactions energy: -81.148
where: short stacking energy: -37.623
Base-Backbone interact. energy: -0.807
local terms energy: -64.413513
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -10.833
tors. eta vs tors. theta energy: -6.042
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: 7
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -87.093923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.093923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.093923 (E_RNA)
where:
Base-Base interactions energy: -43.718
where: short stacking energy: -31.601
Base-Backbone interact. energy: -0.381
local terms energy: -42.994274
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -8.443
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -1.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -82.120802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.120802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.120802 (E_RNA)
where:
Base-Base interactions energy: -27.693
where: short stacking energy: -27.693
Base-Backbone interact. energy: -0.195
local terms energy: -54.233187
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -13.012
flat angles C4'-P-C4' energy: -12.306
flat angles P-C4'-P energy: -9.364
tors. eta vs tors. theta energy: -3.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -84.991226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.991226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.991226 (E_RNA)
where:
Base-Base interactions energy: -36.339
where: short stacking energy: -19.912
Base-Backbone interact. energy: 1.204
local terms energy: -49.856540
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -9.760
flat angles P-C4'-P energy: -10.347
tors. eta vs tors. theta energy: 1.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -251.954723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.954723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.954723 (E_RNA)
where:
Base-Base interactions energy: -175.242
where: short stacking energy: -70.458
Base-Backbone interact. energy: -0.084
local terms energy: -76.628266
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -248.870297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.870297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.870297 (E_RNA)
where:
Base-Base interactions energy: -168.091
where: short stacking energy: -74.079
Base-Backbone interact. energy: 0.012
local terms energy: -80.791197
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -241.471626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.471626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.471626 (E_RNA)
where:
Base-Base interactions energy: -179.475
where: short stacking energy: -69.751
Base-Backbone interact. energy: 0.300
local terms energy: -62.297314
where:
bonds (distance) C4'-P energy: -10.449
bonds (distance) P-C4' energy: -13.530
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -12.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -185.917982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.917982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.917982 (E_RNA)
where:
Base-Base interactions energy: -110.016
where: short stacking energy: -53.181
Base-Backbone interact. energy: -1.944
local terms energy: -73.958499
where:
bonds (distance) C4'-P energy: -19.151
bonds (distance) P-C4' energy: -16.519
flat angles C4'-P-C4' energy: -18.253
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -10.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -211.289263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.289263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.289263 (E_RNA)
where:
Base-Base interactions energy: -130.740
where: short stacking energy: -66.783
Base-Backbone interact. energy: -0.344
local terms energy: -80.205126
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -13.428
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: 6, replica: 1
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -208.968529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.968529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.968529 (E_RNA)
where:
Base-Base interactions energy: -145.177
where: short stacking energy: -49.772
Base-Backbone interact. energy: -0.302
local terms energy: -63.489433
where:
bonds (distance) C4'-P energy: -9.487
bonds (distance) P-C4' energy: -12.976
flat angles C4'-P-C4' energy: -17.236
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -13.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -131.437624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.437624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.437624 (E_RNA)
where:
Base-Base interactions energy: -72.011
where: short stacking energy: -34.380
Base-Backbone interact. energy: -0.052
local terms energy: -59.374484
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -10.204
flat angles P-C4'-P energy: -10.687
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: 8, replica: 3
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -109.946550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.946550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.946550 (E_RNA)
where:
Base-Base interactions energy: -39.928
where: short stacking energy: -39.928
Base-Backbone interact. energy: -0.762
local terms energy: -69.256329
where:
bonds (distance) C4'-P energy: -20.339
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -90.675398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.675398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.675398 (E_RNA)
where:
Base-Base interactions energy: -39.755
where: short stacking energy: -31.926
Base-Backbone interact. energy: -0.159
local terms energy: -50.762200
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -12.257
flat angles C4'-P-C4' energy: -13.161
flat angles P-C4'-P energy: -6.057
tors. eta vs tors. theta energy: -4.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -77.027462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.027462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.027462 (E_RNA)
where:
Base-Base interactions energy: -27.077
where: short stacking energy: -26.594
Base-Backbone interact. energy: 1.602
local terms energy: -51.552341
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -7.359
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -252.230096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.230096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.230096 (E_RNA)
where:
Base-Base interactions energy: -173.500
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.243
local terms energy: -78.486701
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -14.302
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -10.045
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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -245.416930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.416930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.416930 (E_RNA)
where:
Base-Base interactions energy: -164.076
where: short stacking energy: -62.859
Base-Backbone interact. energy: 0.702
local terms energy: -82.042767
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -18.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -228.858989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.858989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.858989 (E_RNA)
where:
Base-Base interactions energy: -152.825
where: short stacking energy: -69.066
Base-Backbone interact. energy: -0.120
local terms energy: -75.914063
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -16.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -186.083339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.083339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.083339 (E_RNA)
where:
Base-Base interactions energy: -112.148
where: short stacking energy: -59.395
Base-Backbone interact. energy: -0.013
local terms energy: -73.922067
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -13.809
flat angles P-C4'-P energy: -10.153
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -233.937864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.937864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.937864 (E_RNA)
where:
Base-Base interactions energy: -181.035
where: short stacking energy: -69.411
Base-Backbone interact. energy: 0.407
local terms energy: -53.309053
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -1.913
tors. eta vs tors. theta energy: -14.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -178.764873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.764873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.764873 (E_RNA)
where:
Base-Base interactions energy: -107.776
where: short stacking energy: -58.803
Base-Backbone interact. energy: -0.251
local terms energy: -70.738555
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -14.448
tors. eta vs tors. theta energy: -15.688
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: 3
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -98.649660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.649660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.649660 (E_RNA)
where:
Base-Base interactions energy: -39.536
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.623
local terms energy: -58.490370
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -2.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -142.127296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.127296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.127296 (E_RNA)
where:
Base-Base interactions energy: -87.656
where: short stacking energy: -43.326
Base-Backbone interact. energy: 1.230
local terms energy: -55.701053
where:
bonds (distance) C4'-P energy: -11.363
bonds (distance) P-C4' energy: -18.366
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -4.201
tors. eta vs tors. theta energy: -7.896
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: 5
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -92.849933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.849933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.849933 (E_RNA)
where:
Base-Base interactions energy: -32.348
where: short stacking energy: -22.734
Base-Backbone interact. energy: -0.397
local terms energy: -60.105197
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -11.555
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: 10, replica: 7
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -84.827739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.827739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.827739 (E_RNA)
where:
Base-Base interactions energy: -32.207
where: short stacking energy: -28.110
Base-Backbone interact. energy: 0.965
local terms energy: -53.585275
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -4.944
tors. eta vs tors. theta energy: -2.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -254.687936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.687936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.687936 (E_RNA)
where:
Base-Base interactions energy: -178.008
where: short stacking energy: -62.597
Base-Backbone interact. energy: -0.612
local terms energy: -76.067864
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -13.043
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: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -237.272641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.272641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.272641 (E_RNA)
where:
Base-Base interactions energy: -163.140
where: short stacking energy: -68.918
Base-Backbone interact. energy: -0.042
local terms energy: -74.090713
where:
bonds (distance) C4'-P energy: -17.122
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -16.780
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: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -236.819603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.819603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.819603 (E_RNA)
where:
Base-Base interactions energy: -156.520
where: short stacking energy: -61.107
Base-Backbone interact. energy: 0.635
local terms energy: -80.934150
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -20.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -243.505912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.505912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.505912 (E_RNA)
where:
Base-Base interactions energy: -172.325
where: short stacking energy: -53.269
Base-Backbone interact. energy: 0.092
local terms energy: -71.272606
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -9.125
tors. eta vs tors. theta energy: -16.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -174.160663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.160663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.160663 (E_RNA)
where:
Base-Base interactions energy: -103.304
where: short stacking energy: -41.975
Base-Backbone interact. energy: -2.326
local terms energy: -68.530139
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -13.325
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: 4
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -193.263179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.263179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.263179 (E_RNA)
where:
Base-Base interactions energy: -117.685
where: short stacking energy: -62.795
Base-Backbone interact. energy: -0.015
local terms energy: -75.563214
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -20.060
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: 3
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -106.464033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.464033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.464033 (E_RNA)
where:
Base-Base interactions energy: -40.300
where: short stacking energy: -37.912
Base-Backbone interact. energy: -0.660
local terms energy: -65.504410
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -12.222
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -8.564
tors. eta vs tors. theta energy: -8.191
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: 8, replica: 5
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -105.469995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.469995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.469995 (E_RNA)
where:
Base-Base interactions energy: -46.937
where: short stacking energy: -37.594
Base-Backbone interact. energy: 0.441
local terms energy: -58.973459
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -4.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -135.013301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.013301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.013301 (E_RNA)
where:
Base-Base interactions energy: -73.567
where: short stacking energy: -30.012
Base-Backbone interact. energy: -0.203
local terms energy: -61.242481
where:
bonds (distance) C4'-P energy: -14.585
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -12.903
flat angles P-C4'-P energy: -9.321
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: 7
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -85.344981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.344981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.344981 (E_RNA)
where:
Base-Base interactions energy: -27.433
where: short stacking energy: -25.030
Base-Backbone interact. energy: -0.178
local terms energy: -57.733939
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -11.611
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -11.843
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: 6
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -259.077883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.077883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.077883 (E_RNA)
where:
Base-Base interactions energy: -175.165
where: short stacking energy: -78.175
Base-Backbone interact. energy: -0.504
local terms energy: -83.408786
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -18.474
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: 2
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -232.481323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.481323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.481323 (E_RNA)
where:
Base-Base interactions energy: -159.613
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.061
local terms energy: -72.807220
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -13.096
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -15.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -230.114808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.114808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.114808 (E_RNA)
where:
Base-Base interactions energy: -159.135
where: short stacking energy: -58.769
Base-Backbone interact. energy: -0.381
local terms energy: -70.599278
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -10.088
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: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -227.069918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.069918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.069918 (E_RNA)
where:
Base-Base interactions energy: -146.409
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.636
local terms energy: -80.024772
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -15.737
flat angles P-C4'-P energy: -11.169
tors. eta vs tors. theta energy: -19.475
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: 4
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -200.314750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.314750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.314750 (E_RNA)
where:
Base-Base interactions energy: -128.156
where: short stacking energy: -66.375
Base-Backbone interact. energy: -0.003
local terms energy: -72.156492
where:
bonds (distance) C4'-P energy: -12.625
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -15.516
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -18.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -189.628829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.628829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.628829 (E_RNA)
where:
Base-Base interactions energy: -122.939
where: short stacking energy: -61.828
Base-Backbone interact. energy: 0.436
local terms energy: -67.126206
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -12.039
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -17.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -104.193267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.193267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.193267 (E_RNA)
where:
Base-Base interactions energy: -31.451
where: short stacking energy: -30.609
Base-Backbone interact. energy: -0.081
local terms energy: -72.661400
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -12.692
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: 3
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -94.583321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.583321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.583321 (E_RNA)
where:
Base-Base interactions energy: -41.406
where: short stacking energy: -39.828
Base-Backbone interact. energy: -0.113
local terms energy: -53.063791
where:
bonds (distance) C4'-P energy: -11.951
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -4.062
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: 9, replica: 7
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -84.814463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.814463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.814463 (E_RNA)
where:
Base-Base interactions energy: -32.057
where: short stacking energy: -30.105
Base-Backbone interact. energy: -0.009
local terms energy: -52.748342
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.102
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: 2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -85.045999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.045999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.045999 (E_RNA)
where:
Base-Base interactions energy: -30.351
where: short stacking energy: -27.890
Base-Backbone interact. energy: -1.029
local terms energy: -53.665993
where:
bonds (distance) C4'-P energy: -11.615
bonds (distance) P-C4' energy: -17.424
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -7.390
tors. eta vs tors. theta energy: -3.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -254.796202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.796202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.796202 (E_RNA)
where:
Base-Base interactions energy: -177.612
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.399
local terms energy: -76.785581
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.553
flat angles P-C4'-P energy: -12.093
tors. eta vs tors. theta energy: -18.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -234.819477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.819477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.819477 (E_RNA)
where:
Base-Base interactions energy: -158.862
where: short stacking energy: -74.034
Base-Backbone interact. energy: 1.355
local terms energy: -77.312112
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -8.954
tors. eta vs tors. theta energy: -18.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -234.456541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.456541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.456541 (E_RNA)
where:
Base-Base interactions energy: -151.396
where: short stacking energy: -67.547
Base-Backbone interact. energy: -0.319
local terms energy: -82.740849
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -12.067
tors. eta vs tors. theta energy: -16.776
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: 9
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -231.624199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.624199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.624199 (E_RNA)
where:
Base-Base interactions energy: -160.571
where: short stacking energy: -81.716
Base-Backbone interact. energy: -0.510
local terms energy: -70.542747
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -11.053
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -7.478
tors. eta vs tors. theta energy: -22.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -179.227972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.227972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.227972 (E_RNA)
where:
Base-Base interactions energy: -103.463
where: short stacking energy: -60.968
Base-Backbone interact. energy: -0.258
local terms energy: -75.507186
where:
bonds (distance) C4'-P energy: -14.762
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -15.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -181.468172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.468172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.468172 (E_RNA)
where:
Base-Base interactions energy: -119.159
where: short stacking energy: -52.467
Base-Backbone interact. energy: -1.357
local terms energy: -60.952313
where:
bonds (distance) C4'-P energy: -7.043
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -12.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -95.261292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.261292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.261292 (E_RNA)
where:
Base-Base interactions energy: -36.453
where: short stacking energy: -36.384
Base-Backbone interact. energy: -0.061
local terms energy: -58.747720
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -10.938
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.616
tors. eta vs tors. theta energy: -10.581
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: 7
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -99.382597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.382597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.382597 (E_RNA)
where:
Base-Base interactions energy: -30.357
where: short stacking energy: -27.262
Base-Backbone interact. energy: 0.405
local terms energy: -69.430855
where:
bonds (distance) C4'-P energy: -18.997
bonds (distance) P-C4' energy: -17.682
flat angles C4'-P-C4' energy: -19.616
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -2.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -86.711074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.711074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.711074 (E_RNA)
where:
Base-Base interactions energy: -38.987
where: short stacking energy: -39.341
Base-Backbone interact. energy: 0.587
local terms energy: -48.311295
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -15.937
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -1.721
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -87.116726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.116726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.116726 (E_RNA)
where:
Base-Base interactions energy: -40.330
where: short stacking energy: -24.490
Base-Backbone interact. energy: 2.141
local terms energy: -48.927972
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -10.850
flat angles C4'-P-C4' energy: -13.244
flat angles P-C4'-P energy: -10.463
tors. eta vs tors. theta energy: 0.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -252.006287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.006287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.006287 (E_RNA)
where:
Base-Base interactions energy: -169.227
where: short stacking energy: -77.751
Base-Backbone interact. energy: -1.154
local terms energy: -81.625708
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -17.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -236.112292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.112292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.112292 (E_RNA)
where:
Base-Base interactions energy: -160.835
where: short stacking energy: -76.453
Base-Backbone interact. energy: -0.622
local terms energy: -74.655001
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -16.001
flat angles P-C4'-P energy: -14.113
tors. eta vs tors. theta energy: -15.699
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: 1
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -242.062475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.062475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.062475 (E_RNA)
where:
Base-Base interactions energy: -163.698
where: short stacking energy: -61.597
Base-Backbone interact. energy: -0.299
local terms energy: -78.065455
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -16.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -228.829252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.829252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.829252 (E_RNA)
where:
Base-Base interactions energy: -156.316
where: short stacking energy: -70.457
Base-Backbone interact. energy: -0.339
local terms energy: -72.174219
where:
bonds (distance) C4'-P energy: -14.819
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -16.519
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -15.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -168.582904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.582904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.582904 (E_RNA)
where:
Base-Base interactions energy: -98.577
where: short stacking energy: -55.127
Base-Backbone interact. energy: -0.141
local terms energy: -69.864578
where:
bonds (distance) C4'-P energy: -15.556
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -13.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -173.649477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.649477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.649477 (E_RNA)
where:
Base-Base interactions energy: -106.782
where: short stacking energy: -61.036
Base-Backbone interact. energy: 0.107
local terms energy: -66.974524
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -13.196
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -10.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -99.623472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.623472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.623472 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -23.651
Base-Backbone interact. energy: -0.181
local terms energy: -61.526543
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -8.679
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -94.692283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.692283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.692283 (E_RNA)
where:
Base-Base interactions energy: -44.783
where: short stacking energy: -31.751
Base-Backbone interact. energy: 0.431
local terms energy: -50.340804
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -11.731
flat angles C4'-P-C4' energy: -14.110
flat angles P-C4'-P energy: -9.504
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: 10
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -83.934502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.934502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.934502 (E_RNA)
where:
Base-Base interactions energy: -26.376
where: short stacking energy: -23.800
Base-Backbone interact. energy: -0.289
local terms energy: -57.270085
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -10.953
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -8.477
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: 3
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -79.233078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.233078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.233078 (E_RNA)
where:
Base-Base interactions energy: -33.885
where: short stacking energy: -24.926
Base-Backbone interact. energy: -1.441
local terms energy: -43.906629
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -8.398
flat angles P-C4'-P energy: -9.972
tors. eta vs tors. theta energy: 0.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -255.135967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.135967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.135967 (E_RNA)
where:
Base-Base interactions energy: -179.037
where: short stacking energy: -73.919
Base-Backbone interact. energy: -0.128
local terms energy: -75.970924
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -15.529
tors. eta vs tors. theta energy: -17.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -248.941757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.941757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.941757 (E_RNA)
where:
Base-Base interactions energy: -176.097
where: short stacking energy: -77.195
Base-Backbone interact. energy: 0.066
local terms energy: -72.910112
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -17.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -233.629514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.629514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.629514 (E_RNA)
where:
Base-Base interactions energy: -154.594
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.086
local terms energy: -78.949829
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -16.722
flat angles P-C4'-P energy: -13.422
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: 4, replica: 9
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -233.246935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.246935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.246935 (E_RNA)
where:
Base-Base interactions energy: -153.410
where: short stacking energy: -69.418
Base-Backbone interact. energy: -0.417
local terms energy: -79.419905
where:
bonds (distance) C4'-P energy: -16.943
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -18.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -173.074463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.074463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.074463 (E_RNA)
where:
Base-Base interactions energy: -119.028
where: short stacking energy: -46.043
Base-Backbone interact. energy: -0.554
local terms energy: -53.492819
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -13.834
flat angles P-C4'-P energy: -6.641
tors. eta vs tors. theta energy: -4.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -111.063295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.063295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.063295 (E_RNA)
where:
Base-Base interactions energy: -44.078
where: short stacking energy: -41.957
Base-Backbone interact. energy: -0.052
local terms energy: -66.933201
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -7.165
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: 7, replica: 4
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -157.125608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.125608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.125608 (E_RNA)
where:
Base-Base interactions energy: -88.326
where: short stacking energy: -46.685
Base-Backbone interact. energy: -0.159
local terms energy: -68.639731
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -95.403059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.403059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.403059 (E_RNA)
where:
Base-Base interactions energy: -43.057
where: short stacking energy: -28.319
Base-Backbone interact. energy: -0.034
local terms energy: -52.312008
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -12.761
flat angles P-C4'-P energy: -6.117
tors. eta vs tors. theta energy: -0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -105.968022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.968022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.968022 (E_RNA)
where:
Base-Base interactions energy: -44.553
where: short stacking energy: -37.021
Base-Backbone interact. energy: -0.373
local terms energy: -61.041504
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -11.845
flat angles P-C4'-P energy: -7.372
tors. eta vs tors. theta energy: -8.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -83.445118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.445118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.445118 (E_RNA)
where:
Base-Base interactions energy: -37.471
where: short stacking energy: -26.412
Base-Backbone interact. energy: -0.084
local terms energy: -45.890174
where:
bonds (distance) C4'-P energy: -7.902
bonds (distance) P-C4' energy: -14.518
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.284
tors. eta vs tors. theta energy: -1.469
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -252.323731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.323731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.323731 (E_RNA)
where:
Base-Base interactions energy: -168.643
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.751
local terms energy: -82.930017
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -18.399
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -18.921
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: 6
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -248.010196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.010196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.010196 (E_RNA)
where:
Base-Base interactions energy: -171.945
where: short stacking energy: -69.115
Base-Backbone interact. energy: 0.423
local terms energy: -76.487649
where:
bonds (distance) C4'-P energy: -15.235
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.528
tors. eta vs tors. theta energy: -18.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -250.298349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.298349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.298349 (E_RNA)
where:
Base-Base interactions energy: -171.031
where: short stacking energy: -76.285
Base-Backbone interact. energy: -0.807
local terms energy: -78.460055
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -216.196140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.196140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.196140 (E_RNA)
where:
Base-Base interactions energy: -146.712
where: short stacking energy: -64.198
Base-Backbone interact. energy: -0.049
local terms energy: -69.435319
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -13.807
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -92.943987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.943987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.943987 (E_RNA)
where:
Base-Base interactions energy: -35.228
where: short stacking energy: -28.613
Base-Backbone interact. energy: -0.407
local terms energy: -57.308487
where:
bonds (distance) C4'-P energy: -13.665
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -15.133
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -172.213036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.213036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.213036 (E_RNA)
where:
Base-Base interactions energy: -98.340
where: short stacking energy: -60.766
Base-Backbone interact. energy: 0.025
local terms energy: -73.897625
where:
bonds (distance) C4'-P energy: -16.720
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -15.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -157.808693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.808693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.808693 (E_RNA)
where:
Base-Base interactions energy: -101.753
where: short stacking energy: -40.782
Base-Backbone interact. energy: 2.323
local terms energy: -58.378970
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -14.208
flat angles C4'-P-C4' energy: -12.726
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -5.569
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: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -98.706593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.706593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.706593 (E_RNA)
where:
Base-Base interactions energy: -52.562
where: short stacking energy: -26.126
Base-Backbone interact. energy: -0.463
local terms energy: -45.682103
where:
bonds (distance) C4'-P energy: -11.930
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -11.929
flat angles P-C4'-P energy: -4.894
tors. eta vs tors. theta energy: -4.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -90.673232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.673232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.673232 (E_RNA)
where:
Base-Base interactions energy: -34.856
where: short stacking energy: -29.606
Base-Backbone interact. energy: -0.145
local terms energy: -55.671944
where:
bonds (distance) C4'-P energy: -8.904
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -18.202
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -3.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -92.299894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.299894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.299894 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.273
local terms energy: -56.946932
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -9.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -259.229968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.229968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.229968 (E_RNA)
where:
Base-Base interactions energy: -175.742
where: short stacking energy: -71.079
Base-Backbone interact. energy: 0.082
local terms energy: -83.570405
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -12.303
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -253.867456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.867456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.867456 (E_RNA)
where:
Base-Base interactions energy: -173.019
where: short stacking energy: -73.224
Base-Backbone interact. energy: -0.147
local terms energy: -80.701012
where:
bonds (distance) C4'-P energy: -14.344
bonds (distance) P-C4' energy: -17.864
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: -19.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -239.036371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.036371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.036371 (E_RNA)
where:
Base-Base interactions energy: -157.290
where: short stacking energy: -74.363
Base-Backbone interact. energy: -0.590
local terms energy: -81.156618
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -227.215834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.215834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.215834 (E_RNA)
where:
Base-Base interactions energy: -156.066
where: short stacking energy: -59.002
Base-Backbone interact. energy: -0.264
local terms energy: -70.885957
where:
bonds (distance) C4'-P energy: -12.220
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: -16.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -113.359741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.359741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.359741 (E_RNA)
where:
Base-Base interactions energy: -48.877
where: short stacking energy: -33.969
Base-Backbone interact. energy: -0.293
local terms energy: -64.189951
where:
bonds (distance) C4'-P energy: -10.659
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -15.222
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -9.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -170.885236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.885236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.885236 (E_RNA)
where:
Base-Base interactions energy: -103.459
where: short stacking energy: -53.421
Base-Backbone interact. energy: -0.996
local terms energy: -66.430340
where:
bonds (distance) C4'-P energy: -14.997
bonds (distance) P-C4' energy: -9.954
flat angles C4'-P-C4' energy: -12.637
flat angles P-C4'-P energy: -11.968
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -156.078766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.078766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.078766 (E_RNA)
where:
Base-Base interactions energy: -92.974
where: short stacking energy: -46.013
Base-Backbone interact. energy: -0.052
local terms energy: -63.052775
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -11.319
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -11.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -102.294069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.294069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.294069 (E_RNA)
where:
Base-Base interactions energy: -37.384
where: short stacking energy: -30.460
Base-Backbone interact. energy: -0.388
local terms energy: -64.521905
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -4.547
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: 3
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -92.616954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.616954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.616954 (E_RNA)
where:
Base-Base interactions energy: -37.838
where: short stacking energy: -33.390
Base-Backbone interact. energy: 0.161
local terms energy: -54.940258
where:
bonds (distance) C4'-P energy: -17.625
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -4.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -90.013977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.013977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.013977 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -32.016
Base-Backbone interact. energy: -1.079
local terms energy: -54.533948
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -13.085
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -3.667
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: 1, replica: 6
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -246.646801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.646801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.646801 (E_RNA)
where:
Base-Base interactions energy: -161.913
where: short stacking energy: -65.451
Base-Backbone interact. energy: -0.058
local terms energy: -84.675957
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: -16.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -248.662266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.662266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.662266 (E_RNA)
where:
Base-Base interactions energy: -161.991
where: short stacking energy: -80.448
Base-Backbone interact. energy: -0.094
local terms energy: -86.576889
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -19.830
flat angles P-C4'-P energy: -13.508
tors. eta vs tors. theta energy: -20.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -239.276014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.276014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.276014 (E_RNA)
where:
Base-Base interactions energy: -149.758
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.274
local terms energy: -89.243569
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -19.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -236.588976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.588976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.588976 (E_RNA)
where:
Base-Base interactions energy: -156.046
where: short stacking energy: -68.989
Base-Backbone interact. energy: -0.286
local terms energy: -80.256412
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -13.124
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -18.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -181.440474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.440474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.440474 (E_RNA)
where:
Base-Base interactions energy: -103.721
where: short stacking energy: -61.467
Base-Backbone interact. energy: -0.786
local terms energy: -76.933705
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -13.384
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -12.231
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: 6, replica: 5
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -104.758588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.758588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.758588 (E_RNA)
where:
Base-Base interactions energy: -41.792
where: short stacking energy: -39.952
Base-Backbone interact. energy: -0.060
local terms energy: -62.906397
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -13.585
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -9.909
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: 7, replica: 8
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -154.252998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.252998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.252998 (E_RNA)
where:
Base-Base interactions energy: -92.359
where: short stacking energy: -36.838
Base-Backbone interact. energy: -0.486
local terms energy: -61.408248
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.655
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -2.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -120.229926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.229926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.229926 (E_RNA)
where:
Base-Base interactions energy: -59.511
where: short stacking energy: -59.511
Base-Backbone interact. energy: -0.005
local terms energy: -60.713171
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -10.372
flat angles C4'-P-C4' energy: -9.522
flat angles P-C4'-P energy: -8.324
tors. eta vs tors. theta energy: -15.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -85.492886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.492886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.492886 (E_RNA)
where:
Base-Base interactions energy: -37.023
where: short stacking energy: -28.727
Base-Backbone interact. energy: -0.287
local terms energy: -48.183777
where:
bonds (distance) C4'-P energy: -14.393
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -4.871
tors. eta vs tors. theta energy: 1.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -91.458223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.458223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.458223 (E_RNA)
where:
Base-Base interactions energy: -36.875
where: short stacking energy: -35.168
Base-Backbone interact. energy: 0.258
local terms energy: -54.841264
where:
bonds (distance) C4'-P energy: -16.224
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -237.798123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.798123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.798123 (E_RNA)
where:
Base-Base interactions energy: -162.551
where: short stacking energy: -62.816
Base-Backbone interact. energy: -0.143
local terms energy: -75.104180
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -12.619
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: 2
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -252.514131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.514131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.514131 (E_RNA)
where:
Base-Base interactions energy: -173.535
where: short stacking energy: -68.592
Base-Backbone interact. energy: 0.087
local terms energy: -79.066170
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -18.265
flat angles P-C4'-P energy: -10.687
tors. eta vs tors. theta energy: -15.834
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: 9
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -228.977596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.977596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.977596 (E_RNA)
where:
Base-Base interactions energy: -149.972
where: short stacking energy: -66.671
Base-Backbone interact. energy: -0.431
local terms energy: -78.574529
where:
bonds (distance) C4'-P energy: -14.331
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -17.444
flat angles P-C4'-P energy: -12.986
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -233.425767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.425767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.425767 (E_RNA)
where:
Base-Base interactions energy: -161.435
where: short stacking energy: -68.593
Base-Backbone interact. energy: 0.188
local terms energy: -72.178464
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -13.360
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -18.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -183.027823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.027823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.027823 (E_RNA)
where:
Base-Base interactions energy: -107.987
where: short stacking energy: -60.869
Base-Backbone interact. energy: -0.022
local terms energy: -75.018722
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -109.813464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.813464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.813464 (E_RNA)
where:
Base-Base interactions energy: -53.854
where: short stacking energy: -34.100
Base-Backbone interact. energy: -1.344
local terms energy: -54.615508
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -131.313091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.313091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.313091 (E_RNA)
where:
Base-Base interactions energy: -68.292
where: short stacking energy: -31.912
Base-Backbone interact. energy: -0.216
local terms energy: -62.804978
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -12.591
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -7.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -85.989325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.989325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.989325 (E_RNA)
where:
Base-Base interactions energy: -30.455
where: short stacking energy: -27.254
Base-Backbone interact. energy: -0.013
local terms energy: -55.521108
where:
bonds (distance) C4'-P energy: -11.586
bonds (distance) P-C4' energy: -14.872
flat angles C4'-P-C4' energy: -13.370
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -5.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -97.179734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.179734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.179734 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.367
local terms energy: -53.088612
where:
bonds (distance) C4'-P energy: -9.153
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -13.120
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: 195
Temperature: 1.350000
Total energy: -85.140165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.140165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.140165 (E_RNA)
where:
Base-Base interactions energy: -34.676
where: short stacking energy: -32.578
Base-Backbone interact. energy: -0.085
local terms energy: -50.379328
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -1.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -259.955845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.955845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.955845 (E_RNA)
where:
Base-Base interactions energy: -176.749
where: short stacking energy: -76.329
Base-Backbone interact. energy: 0.598
local terms energy: -83.804394
where:
bonds (distance) C4'-P energy: -16.310
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -246.755022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.755022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.755022 (E_RNA)
where:
Base-Base interactions energy: -169.880
where: short stacking energy: -76.982
Base-Backbone interact. energy: -0.486
local terms energy: -76.389393
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -13.693
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -233.982543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.982543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.982543 (E_RNA)
where:
Base-Base interactions energy: -159.870
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.142
local terms energy: -73.970850
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -16.201
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -15.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -234.504962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.504962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.504962 (E_RNA)
where:
Base-Base interactions energy: -160.916
where: short stacking energy: -71.917
Base-Backbone interact. energy: -0.264
local terms energy: -73.324900
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -10.778
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -19.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -176.960385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.960385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.960385 (E_RNA)
where:
Base-Base interactions energy: -112.801
where: short stacking energy: -59.266
Base-Backbone interact. energy: -0.218
local terms energy: -63.941208
where:
bonds (distance) C4'-P energy: -15.160
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -13.285
flat angles P-C4'-P energy: -5.823
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: 6, replica: 5
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -105.751302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.751302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.751302 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -34.987
Base-Backbone interact. energy: -0.005
local terms energy: -68.870302
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -18.856
flat angles C4'-P-C4' energy: -14.893
flat angles P-C4'-P energy: -15.167
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -100.130347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.130347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.130347 (E_RNA)
where:
Base-Base interactions energy: -35.769
where: short stacking energy: -34.900
Base-Backbone interact. energy: -0.171
local terms energy: -64.191130
where:
bonds (distance) C4'-P energy: -13.100
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -8.840
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: 8
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -101.998571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.998571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.998571 (E_RNA)
where:
Base-Base interactions energy: -43.306
where: short stacking energy: -31.811
Base-Backbone interact. energy: 0.502
local terms energy: -59.194301
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -1.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -84.106206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.106206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.106206 (E_RNA)
where:
Base-Base interactions energy: -33.969
where: short stacking energy: -33.538
Base-Backbone interact. energy: 0.471
local terms energy: -50.608791
where:
bonds (distance) C4'-P energy: -8.874
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -4.938
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: 10, replica: 10
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -79.797755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.797755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.797755 (E_RNA)
where:
Base-Base interactions energy: -32.355
where: short stacking energy: -33.555
Base-Backbone interact. energy: -0.234
local terms energy: -47.209267
where:
bonds (distance) C4'-P energy: -15.107
bonds (distance) P-C4' energy: -12.119
flat angles C4'-P-C4' energy: -7.926
flat angles P-C4'-P energy: -5.715
tors. eta vs tors. theta energy: -6.343
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: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -259.835935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.835935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.835935 (E_RNA)
where:
Base-Base interactions energy: -183.771
where: short stacking energy: -66.982
Base-Backbone interact. energy: 0.586
local terms energy: -76.651807
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -9.061
tors. eta vs tors. theta energy: -18.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -243.234820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.234820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.234820 (E_RNA)
where:
Base-Base interactions energy: -162.935
where: short stacking energy: -75.452
Base-Backbone interact. energy: -0.161
local terms energy: -80.138888
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -239.781315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.781315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.781315 (E_RNA)
where:
Base-Base interactions energy: -168.497
where: short stacking energy: -76.136
Base-Backbone interact. energy: 0.055
local terms energy: -71.338975
where:
bonds (distance) C4'-P energy: -9.513
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -16.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -172.254859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.254859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.254859 (E_RNA)
where:
Base-Base interactions energy: -102.966
where: short stacking energy: -61.403
Base-Backbone interact. energy: -0.218
local terms energy: -69.071233
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -10.323
tors. eta vs tors. theta energy: -15.055
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: 9
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -226.201686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.201686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.201686 (E_RNA)
where:
Base-Base interactions energy: -152.079
where: short stacking energy: -71.895
Base-Backbone interact. energy: -0.756
local terms energy: -73.367079
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -9.542
flat angles C4'-P-C4' energy: -18.132
flat angles P-C4'-P energy: -12.739
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: 6, replica: 5
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -137.052184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.052184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.052184 (E_RNA)
where:
Base-Base interactions energy: -71.148
where: short stacking energy: -39.021
Base-Backbone interact. energy: -0.312
local terms energy: -65.592380
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.481
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -12.512
tors. eta vs tors. theta energy: -8.967
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: 7
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -92.776949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.776949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.776949 (E_RNA)
where:
Base-Base interactions energy: -32.777
where: short stacking energy: -32.392
Base-Backbone interact. energy: -0.048
local terms energy: -59.951989
where:
bonds (distance) C4'-P energy: -15.730
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -13.003
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -3.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -103.766354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.766354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.766354 (E_RNA)
where:
Base-Base interactions energy: -41.781
where: short stacking energy: -41.781
Base-Backbone interact. energy: -0.315
local terms energy: -61.670850
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -14.295
flat angles C4'-P-C4' energy: -12.314
flat angles P-C4'-P energy: -10.947
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: 8
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -92.949585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.949585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.949585 (E_RNA)
where:
Base-Base interactions energy: -38.244
where: short stacking energy: -30.567
Base-Backbone interact. energy: -0.317
local terms energy: -54.388555
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -11.817
flat angles P-C4'-P energy: -5.934
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -85.829510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.829510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.829510 (E_RNA)
where:
Base-Base interactions energy: -33.233
where: short stacking energy: -29.605
Base-Backbone interact. energy: -0.131
local terms energy: -52.465529
where:
bonds (distance) C4'-P energy: -5.552
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -6.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -247.432963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.432963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.432963 (E_RNA)
where:
Base-Base interactions energy: -170.614
where: short stacking energy: -69.838
Base-Backbone interact. energy: -0.159
local terms energy: -76.659627
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -16.012
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -14.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -236.911159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.911159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.911159 (E_RNA)
where:
Base-Base interactions energy: -164.523
where: short stacking energy: -64.306
Base-Backbone interact. energy: -0.343
local terms energy: -72.045069
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -12.997
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -16.227
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: 198
Temperature: 1.000000
Total energy: -235.031972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.031972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.031972 (E_RNA)
where:
Base-Base interactions energy: -155.706
where: short stacking energy: -61.948
Base-Backbone interact. energy: 0.107
local terms energy: -79.432722
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -14.560
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -16.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -194.010995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.010995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.010995 (E_RNA)
where:
Base-Base interactions energy: -114.385
where: short stacking energy: -47.787
Base-Backbone interact. energy: -1.784
local terms energy: -77.841538
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -231.158304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.158304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.158304 (E_RNA)
where:
Base-Base interactions energy: -150.422
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.361
local terms energy: -80.375867
where:
bonds (distance) C4'-P energy: -13.543
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -115.967595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.967595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.967595 (E_RNA)
where:
Base-Base interactions energy: -54.228
where: short stacking energy: -19.969
Base-Backbone interact. energy: 0.722
local terms energy: -62.461901
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -0.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -106.492089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.492089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.492089 (E_RNA)
where:
Base-Base interactions energy: -49.660
where: short stacking energy: -26.472
Base-Backbone interact. energy: 0.557
local terms energy: -57.389467
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -3.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -92.010740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.010740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.010740 (E_RNA)
where:
Base-Base interactions energy: -24.559
where: short stacking energy: -23.596
Base-Backbone interact. energy: -0.306
local terms energy: -67.144914
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -4.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -84.904999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.904999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.904999 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -28.311
Base-Backbone interact. energy: -0.227
local terms energy: -50.977186
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -12.775
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -2.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -89.338918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.338918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.338918 (E_RNA)
where:
Base-Base interactions energy: -33.956
where: short stacking energy: -27.588
Base-Backbone interact. energy: -0.155
local terms energy: -55.228613
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.867
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: 2.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -247.378256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.378256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.378256 (E_RNA)
where:
Base-Base interactions energy: -169.266
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.124
local terms energy: -77.988772
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -237.360164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.360164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.360164 (E_RNA)
where:
Base-Base interactions energy: -164.494
where: short stacking energy: -64.059
Base-Backbone interact. energy: -0.110
local terms energy: -72.756529
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -16.920
flat angles C4'-P-C4' energy: -14.779
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -245.327636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.327636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.327636 (E_RNA)
where:
Base-Base interactions energy: -176.721
where: short stacking energy: -77.815
Base-Backbone interact. energy: 1.768
local terms energy: -70.375040
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -16.482
flat angles P-C4'-P energy: -8.150
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -232.137132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.137132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.137132 (E_RNA)
where:
Base-Base interactions energy: -161.236
where: short stacking energy: -67.497
Base-Backbone interact. energy: -0.484
local terms energy: -70.417352
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -16.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -230.061099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.061099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.061099 (E_RNA)
where:
Base-Base interactions energy: -172.090
where: short stacking energy: -57.380
Base-Backbone interact. energy: -0.926
local terms energy: -57.045336
where:
bonds (distance) C4'-P energy: -8.363
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -20.167
flat angles P-C4'-P energy: -0.098
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -100.835319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.835319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.835319 (E_RNA)
where:
Base-Base interactions energy: -41.402
where: short stacking energy: -37.476
Base-Backbone interact. energy: -0.507
local terms energy: -58.926007
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -19.743
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: -2.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -111.734319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.734319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.734319 (E_RNA)
where:
Base-Base interactions energy: -46.622
where: short stacking energy: -35.626
Base-Backbone interact. energy: -0.577
local terms energy: -64.535215
where:
bonds (distance) C4'-P energy: -14.145
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -102.923719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.923719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.923719 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -39.430
Base-Backbone interact. energy: -1.082
local terms energy: -61.381276
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.003
tors. eta vs tors. theta energy: -4.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -87.735000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.735000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.735000 (E_RNA)
where:
Base-Base interactions energy: -36.922
where: short stacking energy: -34.766
Base-Backbone interact. energy: -0.246
local terms energy: -50.566474
where:
bonds (distance) C4'-P energy: -12.286
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -6.285
tors. eta vs tors. theta energy: -0.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -89.592698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.592698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.592698 (E_RNA)
where:
Base-Base interactions energy: -31.291
where: short stacking energy: -27.576
Base-Backbone interact. energy: 0.432
local terms energy: -58.733178
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -242.462795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.462795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.462795 (E_RNA)
where:
Base-Base interactions energy: -165.304
where: short stacking energy: -67.981
Base-Backbone interact. energy: -0.142
local terms energy: -77.016139
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -17.203
flat angles P-C4'-P energy: -8.968
tors. eta vs tors. theta energy: -18.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -241.307673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.307673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.307673 (E_RNA)
where:
Base-Base interactions energy: -166.725
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.220
local terms energy: -74.363311
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -19.234
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -14.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -240.547652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.547652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.547652 (E_RNA)
where:
Base-Base interactions energy: -167.975
where: short stacking energy: -67.931
Base-Backbone interact. energy: -0.627
local terms energy: -71.945291
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -12.042
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -10.341
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: 4, replica: 6
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -233.604734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.604734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.604734 (E_RNA)
where:
Base-Base interactions energy: -159.256
where: short stacking energy: -74.572
Base-Backbone interact. energy: -0.751
local terms energy: -73.596899
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -12.326
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -21.339
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: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -218.478627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.478627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.478627 (E_RNA)
where:
Base-Base interactions energy: -146.737
where: short stacking energy: -65.809
Base-Backbone interact. energy: -0.425
local terms energy: -71.315916
where:
bonds (distance) C4'-P energy: -11.422
bonds (distance) P-C4' energy: -15.092
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -10.893
tors. eta vs tors. theta energy: -19.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -145.322452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.322452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.322452 (E_RNA)
where:
Base-Base interactions energy: -76.676
where: short stacking energy: -34.803
Base-Backbone interact. energy: -0.101
local terms energy: -68.545435
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -7.562
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: 10
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -98.553492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.553492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.553492 (E_RNA)
where:
Base-Base interactions energy: -38.460
where: short stacking energy: -37.461
Base-Backbone interact. energy: -0.073
local terms energy: -60.020475
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -18.182
flat angles C4'-P-C4' energy: -10.925
flat angles P-C4'-P energy: -9.226
tors. eta vs tors. theta energy: -9.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -96.784242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.784242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.784242 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.330
local terms energy: -58.235192
where:
bonds (distance) C4'-P energy: -5.444
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -12.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -90.099560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.099560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.099560 (E_RNA)
where:
Base-Base interactions energy: -40.705
where: short stacking energy: -22.659
Base-Backbone interact. energy: 0.207
local terms energy: -49.601568
where:
bonds (distance) C4'-P energy: -13.127
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -5.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -86.752882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.752882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.752882 (E_RNA)
where:
Base-Base interactions energy: -37.512
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.194
local terms energy: -49.046870
where:
bonds (distance) C4'-P energy: -11.446
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -244.936477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.936477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.936477 (E_RNA)
where:
Base-Base interactions energy: -167.150
where: short stacking energy: -68.303
Base-Backbone interact. energy: -0.114
local terms energy: -77.672025
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -15.318
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -17.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -237.614360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.614360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.614360 (E_RNA)
where:
Base-Base interactions energy: -165.803
where: short stacking energy: -65.324
Base-Backbone interact. energy: -0.645
local terms energy: -71.166420
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -9.138
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: 3, replica: 1
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -229.956876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.956876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.956876 (E_RNA)
where:
Base-Base interactions energy: -153.130
where: short stacking energy: -61.616
Base-Backbone interact. energy: -0.355
local terms energy: -76.472216
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -13.047
flat angles P-C4'-P energy: -13.857
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -230.342242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.342242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.342242 (E_RNA)
where:
Base-Base interactions energy: -152.905
where: short stacking energy: -68.735
Base-Backbone interact. energy: 0.216
local terms energy: -77.653299
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -17.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -234.243427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.243427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.243427 (E_RNA)
where:
Base-Base interactions energy: -158.437
where: short stacking energy: -70.063
Base-Backbone interact. energy: -0.202
local terms energy: -75.604159
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -12.528
flat angles C4'-P-C4' energy: -13.108
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -20.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -111.343262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.343262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.343262 (E_RNA)
where:
Base-Base interactions energy: -39.659
where: short stacking energy: -39.559
Base-Backbone interact. energy: -0.000
local terms energy: -71.683638
where:
bonds (distance) C4'-P energy: -13.185
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -16.292
flat angles P-C4'-P energy: -9.198
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: 7, replica: 5
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -148.367478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.367478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.367478 (E_RNA)
where:
Base-Base interactions energy: -83.646
where: short stacking energy: -42.443
Base-Backbone interact. energy: -0.289
local terms energy: -64.432238
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -12.619
flat angles P-C4'-P energy: -10.387
tors. eta vs tors. theta energy: -7.919
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: 8
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -97.760124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.760124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.760124 (E_RNA)
where:
Base-Base interactions energy: -36.762
where: short stacking energy: -33.035
Base-Backbone interact. energy: 0.480
local terms energy: -61.478799
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -10.558
flat angles P-C4'-P energy: -14.979
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -98.015740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.015740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.015740 (E_RNA)
where:
Base-Base interactions energy: -43.320
where: short stacking energy: -40.200
Base-Backbone interact. energy: 1.541
local terms energy: -56.236763
where:
bonds (distance) C4'-P energy: -5.067
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -9.849
tors. eta vs tors. theta energy: -8.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -81.191713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.191713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.191713 (E_RNA)
where:
Base-Base interactions energy: -33.888
where: short stacking energy: -33.888
Base-Backbone interact. energy: -0.135
local terms energy: -47.169209
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -11.692
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -3.355
tors. eta vs tors. theta energy: -4.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -244.730791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.730791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.730791 (E_RNA)
where:
Base-Base interactions energy: -164.958
where: short stacking energy: -77.564
Base-Backbone interact. energy: 0.815
local terms energy: -80.587117
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.308
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.259
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: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -255.567461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.567461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.567461 (E_RNA)
where:
Base-Base interactions energy: -170.186
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.484
local terms energy: -84.898202
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -18.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -229.169693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.169693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.169693 (E_RNA)
where:
Base-Base interactions energy: -149.870
where: short stacking energy: -60.727
Base-Backbone interact. energy: -0.367
local terms energy: -78.932313
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -7.912
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -226.797311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.797311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.797311 (E_RNA)
where:
Base-Base interactions energy: -155.576
where: short stacking energy: -66.749
Base-Backbone interact. energy: -0.157
local terms energy: -71.063799
where:
bonds (distance) C4'-P energy: -13.552
bonds (distance) P-C4' energy: -16.413
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -12.296
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -216.244262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.244262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.244262 (E_RNA)
where:
Base-Base interactions energy: -146.353
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.323
local terms energy: -69.567989
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -15.238
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -14.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -110.878332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.878332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.878332 (E_RNA)
where:
Base-Base interactions energy: -48.500
where: short stacking energy: -48.500
Base-Backbone interact. energy: -0.013
local terms energy: -62.365885
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -12.150
flat angles P-C4'-P energy: -10.563
tors. eta vs tors. theta energy: -9.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -128.172084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.172084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.172084 (E_RNA)
where:
Base-Base interactions energy: -73.152
where: short stacking energy: -33.502
Base-Backbone interact. energy: -0.382
local terms energy: -54.638414
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -10.696
flat angles P-C4'-P energy: -9.057
tors. eta vs tors. theta energy: -4.663
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: 202
Temperature: 1.250000
Total energy: -97.742598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.742598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.742598 (E_RNA)
where:
Base-Base interactions energy: -32.015
where: short stacking energy: -32.015
Base-Backbone interact. energy: -0.067
local terms energy: -65.660555
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -16.606
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -88.389372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.389372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.389372 (E_RNA)
where:
Base-Base interactions energy: -34.230
where: short stacking energy: -29.500
Base-Backbone interact. energy: -0.243
local terms energy: -53.916260
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -11.382
flat angles C4'-P-C4' energy: -13.620
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -3.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -83.427305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.427305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.427305 (E_RNA)
where:
Base-Base interactions energy: -39.272
where: short stacking energy: -27.371
Base-Backbone interact. energy: -1.259
local terms energy: -42.895461
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.037
flat angles C4'-P-C4' energy: -12.829
flat angles P-C4'-P energy: -6.130
tors. eta vs tors. theta energy: -1.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -251.860766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.860766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.860766 (E_RNA)
where:
Base-Base interactions energy: -166.371
where: short stacking energy: -71.178
Base-Backbone interact. energy: -0.736
local terms energy: -84.753366
where:
bonds (distance) C4'-P energy: -19.590
bonds (distance) P-C4' energy: -15.191
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -15.776
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: 2
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -255.073324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.073324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.073324 (E_RNA)
where:
Base-Base interactions energy: -174.932
where: short stacking energy: -70.119
Base-Backbone interact. energy: 0.576
local terms energy: -80.717072
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -233.434702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.434702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.434702 (E_RNA)
where:
Base-Base interactions energy: -150.522
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.328
local terms energy: -82.584702
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -10.704
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: 6
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -228.161520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.161520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.161520 (E_RNA)
where:
Base-Base interactions energy: -156.708
where: short stacking energy: -66.200
Base-Backbone interact. energy: 0.783
local terms energy: -72.237237
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -10.546
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -229.984565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.984565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.984565 (E_RNA)
where:
Base-Base interactions energy: -153.161
where: short stacking energy: -75.845
Base-Backbone interact. energy: -0.295
local terms energy: -76.528423
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -22.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -139.876213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.876213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.876213 (E_RNA)
where:
Base-Base interactions energy: -71.918
where: short stacking energy: -47.221
Base-Backbone interact. energy: -0.021
local terms energy: -67.937247
where:
bonds (distance) C4'-P energy: -11.597
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.155
tors. eta vs tors. theta energy: -9.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -103.973127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.973127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.973127 (E_RNA)
where:
Base-Base interactions energy: -49.750
where: short stacking energy: -31.108
Base-Backbone interact. energy: -0.257
local terms energy: -53.966305
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: -4.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -85.496711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.496711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.496711 (E_RNA)
where:
Base-Base interactions energy: -32.787
where: short stacking energy: -30.203
Base-Backbone interact. energy: 0.024
local terms energy: -52.734438
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -3.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -93.077347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.077347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.077347 (E_RNA)
where:
Base-Base interactions energy: -49.205
where: short stacking energy: -39.810
Base-Backbone interact. energy: 1.605
local terms energy: -45.477437
where:
bonds (distance) C4'-P energy: -4.890
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.983
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: 10, replica: 3
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -85.575718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.575718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.575718 (E_RNA)
where:
Base-Base interactions energy: -26.011
where: short stacking energy: -26.011
Base-Backbone interact. energy: -0.107
local terms energy: -59.456948
where:
bonds (distance) C4'-P energy: -15.494
bonds (distance) P-C4' energy: -14.377
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -4.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -253.709719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.709719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.709719 (E_RNA)
where:
Base-Base interactions energy: -176.195
where: short stacking energy: -63.075
Base-Backbone interact. energy: -0.941
local terms energy: -76.573786
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -15.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -250.000832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.000832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.000832 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -72.562
Base-Backbone interact. energy: -0.294
local terms energy: -79.384312
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -16.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -234.574190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.574190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.574190 (E_RNA)
where:
Base-Base interactions energy: -161.365
where: short stacking energy: -63.594
Base-Backbone interact. energy: 1.046
local terms energy: -74.254814
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -12.045
flat angles P-C4'-P energy: -13.299
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: 4, replica: 4
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -246.737013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.737013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.737013 (E_RNA)
where:
Base-Base interactions energy: -178.635
where: short stacking energy: -69.361
Base-Backbone interact. energy: -0.105
local terms energy: -67.997796
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -16.885
flat angles P-C4'-P energy: -9.874
tors. eta vs tors. theta energy: -11.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -235.166423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.166423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.166423 (E_RNA)
where:
Base-Base interactions energy: -168.361
where: short stacking energy: -64.738
Base-Backbone interact. energy: 2.817
local terms energy: -69.623043
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -12.528
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -17.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -150.705951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.705951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.705951 (E_RNA)
where:
Base-Base interactions energy: -86.807
where: short stacking energy: -52.490
Base-Backbone interact. energy: -0.654
local terms energy: -63.244167
where:
bonds (distance) C4'-P energy: -13.722
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -14.057
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -12.045
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: 7, replica: 7
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -97.837694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.837694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.837694 (E_RNA)
where:
Base-Base interactions energy: -49.137
where: short stacking energy: -43.722
Base-Backbone interact. energy: 2.292
local terms energy: -50.993017
where:
bonds (distance) C4'-P energy: -11.761
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -0.477
tors. eta vs tors. theta energy: -7.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -85.380116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.380116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.380116 (E_RNA)
where:
Base-Base interactions energy: -27.338
where: short stacking energy: -27.338
Base-Backbone interact. energy: -0.194
local terms energy: -57.847538
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -9.841
tors. eta vs tors. theta energy: -2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -88.573154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.573154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.573154 (E_RNA)
where:
Base-Base interactions energy: -29.300
where: short stacking energy: -24.162
Base-Backbone interact. energy: 1.263
local terms energy: -60.536104
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -8.901
tors. eta vs tors. theta energy: -7.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -108.625432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.625432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.625432 (E_RNA)
where:
Base-Base interactions energy: -54.478
where: short stacking energy: -36.593
Base-Backbone interact. energy: -0.312
local terms energy: -53.835100
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -2.687
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -252.558405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.558405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.558405 (E_RNA)
where:
Base-Base interactions energy: -175.985
where: short stacking energy: -72.008
Base-Backbone interact. energy: -0.081
local terms energy: -76.492536
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -15.084
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -17.930
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: 6
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -239.670823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.670823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.670823 (E_RNA)
where:
Base-Base interactions energy: -160.179
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.141
local terms energy: -79.351431
where:
bonds (distance) C4'-P energy: -10.904
bonds (distance) P-C4' energy: -17.276
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -17.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -237.294751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.294751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.294751 (E_RNA)
where:
Base-Base interactions energy: -166.717
where: short stacking energy: -57.895
Base-Backbone interact. energy: -0.570
local terms energy: -70.007377
where:
bonds (distance) C4'-P energy: -15.610
bonds (distance) P-C4' energy: -13.302
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -11.063
tors. eta vs tors. theta energy: -15.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -240.897882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.897882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.897882 (E_RNA)
where:
Base-Base interactions energy: -159.127
where: short stacking energy: -69.686
Base-Backbone interact. energy: -0.734
local terms energy: -81.037354
where:
bonds (distance) C4'-P energy: -14.306
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -17.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -226.342608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.342608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.342608 (E_RNA)
where:
Base-Base interactions energy: -154.294
where: short stacking energy: -66.544
Base-Backbone interact. energy: 0.437
local terms energy: -72.485260
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.989
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -5.602
tors. eta vs tors. theta energy: -18.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -179.217383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.217383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.217383 (E_RNA)
where:
Base-Base interactions energy: -116.249
where: short stacking energy: -60.293
Base-Backbone interact. energy: -0.010
local terms energy: -62.957482
where:
bonds (distance) C4'-P energy: -9.136
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -12.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -99.873108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.873108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.873108 (E_RNA)
where:
Base-Base interactions energy: -35.627
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.045
local terms energy: -64.201325
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -13.247
flat angles P-C4'-P energy: -14.892
tors. eta vs tors. theta energy: -4.307
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: 8, replica: 3
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -103.747453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.747453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.747453 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -32.781
Base-Backbone interact. energy: -0.147
local terms energy: -60.772584
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -16.144
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -95.865018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.865018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.865018 (E_RNA)
where:
Base-Base interactions energy: -42.114
where: short stacking energy: -37.059
Base-Backbone interact. energy: -0.117
local terms energy: -53.634005
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -12.683
flat angles P-C4'-P energy: -9.175
tors. eta vs tors. theta energy: -4.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -72.104206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.104206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.104206 (E_RNA)
where:
Base-Base interactions energy: -25.248
where: short stacking energy: -24.896
Base-Backbone interact. energy: -0.137
local terms energy: -46.719182
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -8.155
flat angles P-C4'-P energy: -9.457
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -241.560883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.560883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.560883 (E_RNA)
where:
Base-Base interactions energy: -168.495
where: short stacking energy: -78.422
Base-Backbone interact. energy: 0.838
local terms energy: -73.904197
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -18.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -255.258756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.258756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.258756 (E_RNA)
where:
Base-Base interactions energy: -173.966
where: short stacking energy: -75.683
Base-Backbone interact. energy: 0.260
local terms energy: -81.552617
where:
bonds (distance) C4'-P energy: -11.244
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -12.976
tors. eta vs tors. theta energy: -18.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -251.344027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.344027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.344027 (E_RNA)
where:
Base-Base interactions energy: -170.798
where: short stacking energy: -63.209
Base-Backbone interact. energy: -0.439
local terms energy: -80.106790
where:
bonds (distance) C4'-P energy: -15.755
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -16.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -229.806880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.806880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.806880 (E_RNA)
where:
Base-Base interactions energy: -150.575
where: short stacking energy: -64.149
Base-Backbone interact. energy: 0.304
local terms energy: -79.536021
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -225.889705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.889705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.889705 (E_RNA)
where:
Base-Base interactions energy: -144.547
where: short stacking energy: -72.072
Base-Backbone interact. energy: -0.364
local terms energy: -80.978955
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -20.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -166.214290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.214290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.214290 (E_RNA)
where:
Base-Base interactions energy: -101.576
where: short stacking energy: -50.819
Base-Backbone interact. energy: -0.295
local terms energy: -64.343371
where:
bonds (distance) C4'-P energy: -9.409
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -11.133
tors. eta vs tors. theta energy: -10.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -100.364083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.364083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.364083 (E_RNA)
where:
Base-Base interactions energy: -44.614
where: short stacking energy: -29.794
Base-Backbone interact. energy: 0.389
local terms energy: -56.139482
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -2.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -98.081509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.081509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.081509 (E_RNA)
where:
Base-Base interactions energy: -45.774
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.035
local terms energy: -52.272801
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -4.975
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -87.205895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.205895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.205895 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -27.296
Base-Backbone interact. energy: -1.021
local terms energy: -49.377773
where:
bonds (distance) C4'-P energy: -8.518
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -14.073
flat angles P-C4'-P energy: -11.798
tors. eta vs tors. theta energy: 0.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -78.430534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.430534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.430534 (E_RNA)
where:
Base-Base interactions energy: -33.692
where: short stacking energy: -33.692
Base-Backbone interact. energy: -0.085
local terms energy: -44.653794
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -8.054
flat angles C4'-P-C4' energy: -12.895
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: -2.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -235.161515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.161515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.161515 (E_RNA)
where:
Base-Base interactions energy: -158.740
where: short stacking energy: -73.134
Base-Backbone interact. energy: -0.390
local terms energy: -76.031280
where:
bonds (distance) C4'-P energy: -16.642
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -12.717
tors. eta vs tors. theta energy: -16.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -252.171611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.171611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.171611 (E_RNA)
where:
Base-Base interactions energy: -172.667
where: short stacking energy: -72.668
Base-Backbone interact. energy: -0.202
local terms energy: -79.302472
where:
bonds (distance) C4'-P energy: -17.676
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.875
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -17.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -242.225520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.225520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.225520 (E_RNA)
where:
Base-Base interactions energy: -168.226
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.749
local terms energy: -73.249791
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -12.806
flat angles P-C4'-P energy: -14.604
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -229.736701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.736701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.736701 (E_RNA)
where:
Base-Base interactions energy: -154.382
where: short stacking energy: -72.433
Base-Backbone interact. energy: -0.436
local terms energy: -74.918747
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -17.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -228.838672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.838672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.838672 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -63.875
Base-Backbone interact. energy: -0.570
local terms energy: -75.418528
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -13.805
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -177.872513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.872513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.872513 (E_RNA)
where:
Base-Base interactions energy: -108.008
where: short stacking energy: -56.904
Base-Backbone interact. energy: -0.773
local terms energy: -69.092360
where:
bonds (distance) C4'-P energy: -15.105
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -10.592
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -16.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -95.627087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.627087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.627087 (E_RNA)
where:
Base-Base interactions energy: -37.500
where: short stacking energy: -33.166
Base-Backbone interact. energy: -0.164
local terms energy: -57.963363
where:
bonds (distance) C4'-P energy: -16.617
bonds (distance) P-C4' energy: -12.801
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -4.202
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: 8
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -105.289514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.289514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.289514 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -38.580
Base-Backbone interact. energy: 0.007
local terms energy: -66.683010
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -9.440
tors. eta vs tors. theta energy: -13.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -94.156163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.156163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.156163 (E_RNA)
where:
Base-Base interactions energy: -36.201
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.459
local terms energy: -57.495483
where:
bonds (distance) C4'-P energy: -12.499
bonds (distance) P-C4' energy: -10.451
flat angles C4'-P-C4' energy: -19.307
flat angles P-C4'-P energy: -10.405
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: 10, replica: 10
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -79.457232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.457232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.457232 (E_RNA)
where:
Base-Base interactions energy: -34.093
where: short stacking energy: -27.221
Base-Backbone interact. energy: 2.795
local terms energy: -48.159297
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -6.741
flat angles P-C4'-P energy: -11.448
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: 1, replica: 6
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -240.739452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.739452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.739452 (E_RNA)
where:
Base-Base interactions energy: -160.203
where: short stacking energy: -70.989
Base-Backbone interact. energy: 1.348
local terms energy: -81.883980
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -20.097
flat angles P-C4'-P energy: -12.406
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: 4
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -249.910354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.910354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.910354 (E_RNA)
where:
Base-Base interactions energy: -172.639
where: short stacking energy: -68.945
Base-Backbone interact. energy: -0.197
local terms energy: -77.074220
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -20.127
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: 9
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -231.125472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.125472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.125472 (E_RNA)
where:
Base-Base interactions energy: -156.038
where: short stacking energy: -61.955
Base-Backbone interact. energy: -0.450
local terms energy: -74.638148
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -14.599
tors. eta vs tors. theta energy: -13.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -236.875367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.875367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.875367 (E_RNA)
where:
Base-Base interactions energy: -154.508
where: short stacking energy: -64.989
Base-Backbone interact. energy: -1.907
local terms energy: -80.459791
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.373
flat angles C4'-P-C4' energy: -17.879
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -17.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -194.625158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.625158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.625158 (E_RNA)
where:
Base-Base interactions energy: -119.095
where: short stacking energy: -57.194
Base-Backbone interact. energy: -0.862
local terms energy: -74.668347
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -10.333
tors. eta vs tors. theta energy: -18.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -218.667479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.667479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.667479 (E_RNA)
where:
Base-Base interactions energy: -147.823
where: short stacking energy: -60.687
Base-Backbone interact. energy: -0.034
local terms energy: -70.810011
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -15.370
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -13.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -101.011656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.011656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.011656 (E_RNA)
where:
Base-Base interactions energy: -39.484
where: short stacking energy: -24.752
Base-Backbone interact. energy: 0.643
local terms energy: -62.170920
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -12.364
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: 8, replica: 7
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -95.030884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.030884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.030884 (E_RNA)
where:
Base-Base interactions energy: -42.753
where: short stacking energy: -33.214
Base-Backbone interact. energy: -0.677
local terms energy: -51.600785
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -2.449
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -82.693829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.693829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.693829 (E_RNA)
where:
Base-Base interactions energy: -31.647
where: short stacking energy: -24.304
Base-Backbone interact. energy: -0.546
local terms energy: -50.500567
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -15.477
flat angles P-C4'-P energy: -6.374
tors. eta vs tors. theta energy: -2.745
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: 3
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -83.935848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.935848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.935848 (E_RNA)
where:
Base-Base interactions energy: -30.563
where: short stacking energy: -25.896
Base-Backbone interact. energy: -0.173
local terms energy: -53.199776
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -10.455
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -6.190
tors. eta vs tors. theta energy: -6.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -247.476283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.476283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.476283 (E_RNA)
where:
Base-Base interactions energy: -171.044
where: short stacking energy: -68.536
Base-Backbone interact. energy: -0.274
local terms energy: -76.157550
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -13.650
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: 2, replica: 9
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -241.569333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.569333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.569333 (E_RNA)
where:
Base-Base interactions energy: -166.129
where: short stacking energy: -65.014
Base-Backbone interact. energy: -0.800
local terms energy: -74.639692
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -12.623
flat angles C4'-P-C4' energy: -14.843
flat angles P-C4'-P energy: -14.844
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: 3, replica: 4
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -251.768431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.768431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.768431 (E_RNA)
where:
Base-Base interactions energy: -170.357
where: short stacking energy: -75.912
Base-Backbone interact. energy: -0.137
local terms energy: -81.273860
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -19.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -239.500968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.500968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.500968 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -72.138
Base-Backbone interact. energy: -0.089
local terms energy: -73.532617
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -18.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -185.172454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.172454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.172454 (E_RNA)
where:
Base-Base interactions energy: -110.624
where: short stacking energy: -59.065
Base-Backbone interact. energy: -0.001
local terms energy: -74.546806
where:
bonds (distance) C4'-P energy: -18.045
bonds (distance) P-C4' energy: -17.507
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -9.029
tors. eta vs tors. theta energy: -15.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -216.636678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.636678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.636678 (E_RNA)
where:
Base-Base interactions energy: -140.385
where: short stacking energy: -61.134
Base-Backbone interact. energy: -0.375
local terms energy: -75.876368
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -13.608
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: 209
Temperature: 1.200000
Total energy: -94.124425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124425 (E_RNA)
where:
Base-Base interactions energy: -38.637
where: short stacking energy: -30.445
Base-Backbone interact. energy: -0.544
local terms energy: -54.943008
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -2.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -97.503717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.503717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.503717 (E_RNA)
where:
Base-Base interactions energy: -43.065
where: short stacking energy: -38.463
Base-Backbone interact. energy: -0.029
local terms energy: -54.409684
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -10.551
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -5.497
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: 9, replica: 7
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -94.789369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.789369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.789369 (E_RNA)
where:
Base-Base interactions energy: -34.699
where: short stacking energy: -26.308
Base-Backbone interact. energy: -0.052
local terms energy: -60.038304
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -83.829848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.829848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.829848 (E_RNA)
where:
Base-Base interactions energy: -40.500
where: short stacking energy: -40.500
Base-Backbone interact. energy: -0.626
local terms energy: -42.703668
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -4.484
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -8.053
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: 9
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -246.747347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.747347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.747347 (E_RNA)
where:
Base-Base interactions energy: -166.509
where: short stacking energy: -72.983
Base-Backbone interact. energy: -0.306
local terms energy: -79.932882
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -18.338
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: 6
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -251.464018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.464018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.464018 (E_RNA)
where:
Base-Base interactions energy: -177.289
where: short stacking energy: -76.110
Base-Backbone interact. energy: -0.289
local terms energy: -73.886009
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -9.518
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -18.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -247.088234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.088234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.088234 (E_RNA)
where:
Base-Base interactions energy: -176.922
where: short stacking energy: -67.207
Base-Backbone interact. energy: -0.548
local terms energy: -69.618217
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -14.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -238.260629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.260629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.260629 (E_RNA)
where:
Base-Base interactions energy: -156.642
where: short stacking energy: -68.425
Base-Backbone interact. energy: -0.550
local terms energy: -81.069154
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -12.175
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -231.181141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.181141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.181141 (E_RNA)
where:
Base-Base interactions energy: -159.403
where: short stacking energy: -69.157
Base-Backbone interact. energy: -0.489
local terms energy: -71.288590
where:
bonds (distance) C4'-P energy: -11.334
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -10.169
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -184.278894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.278894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.278894 (E_RNA)
where:
Base-Base interactions energy: -113.910
where: short stacking energy: -58.905
Base-Backbone interact. energy: -0.003
local terms energy: -70.365564
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -10.568
flat angles C4'-P-C4' energy: -16.649
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -14.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -105.492594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.492594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.492594 (E_RNA)
where:
Base-Base interactions energy: -54.476
where: short stacking energy: -47.873
Base-Backbone interact. energy: -0.137
local terms energy: -50.880081
where:
bonds (distance) C4'-P energy: -7.625
bonds (distance) P-C4' energy: -11.372
flat angles C4'-P-C4' energy: -12.351
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -8.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -88.465543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.465543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.465543 (E_RNA)
where:
Base-Base interactions energy: -28.516
where: short stacking energy: -22.284
Base-Backbone interact. energy: -0.100
local terms energy: -59.849029
where:
bonds (distance) C4'-P energy: -17.680
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -0.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -97.583383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583383 (E_RNA)
where:
Base-Base interactions energy: -41.767
where: short stacking energy: -34.514
Base-Backbone interact. energy: -0.116
local terms energy: -55.700404
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -13.559
flat angles C4'-P-C4' energy: -10.657
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -5.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -83.411095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.411095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.411095 (E_RNA)
where:
Base-Base interactions energy: -28.100
where: short stacking energy: -23.101
Base-Backbone interact. energy: 0.382
local terms energy: -55.693419
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -13.765
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: -1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -254.449086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.449086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.449086 (E_RNA)
where:
Base-Base interactions energy: -178.714
where: short stacking energy: -69.212
Base-Backbone interact. energy: -1.682
local terms energy: -74.052908
where:
bonds (distance) C4'-P energy: -15.005
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -15.166
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -18.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -250.028642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.028642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.028642 (E_RNA)
where:
Base-Base interactions energy: -175.825
where: short stacking energy: -71.832
Base-Backbone interact. energy: -0.301
local terms energy: -73.901770
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -17.491
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: 4
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -235.371824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.371824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.371824 (E_RNA)
where:
Base-Base interactions energy: -156.409
where: short stacking energy: -72.145
Base-Backbone interact. energy: -1.447
local terms energy: -77.516374
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.087
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -231.607065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.607065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.607065 (E_RNA)
where:
Base-Base interactions energy: -148.334
where: short stacking energy: -56.005
Base-Backbone interact. energy: -1.027
local terms energy: -82.246492
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -17.792
flat angles C4'-P-C4' energy: -15.019
flat angles P-C4'-P energy: -13.987
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -224.585874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.585874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.585874 (E_RNA)
where:
Base-Base interactions energy: -150.615
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.395
local terms energy: -73.576338
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -11.117
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -180.226159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.226159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.226159 (E_RNA)
where:
Base-Base interactions energy: -113.315
where: short stacking energy: -60.102
Base-Backbone interact. energy: 0.938
local terms energy: -67.848581
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -12.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -95.175797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.175797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.175797 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -35.831
Base-Backbone interact. energy: -0.002
local terms energy: -57.151487
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -7.260
flat angles P-C4'-P energy: -8.493
tors. eta vs tors. theta energy: -7.950
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: 211
Temperature: 1.250000
Total energy: -95.658780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.658780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.658780 (E_RNA)
where:
Base-Base interactions energy: -40.762
where: short stacking energy: -35.303
Base-Backbone interact. energy: -0.353
local terms energy: -54.543840
where:
bonds (distance) C4'-P energy: -14.524
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -12.455
flat angles P-C4'-P energy: -11.048
tors. eta vs tors. theta energy: -3.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -91.423029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.423029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.423029 (E_RNA)
where:
Base-Base interactions energy: -31.648
where: short stacking energy: -30.697
Base-Backbone interact. energy: -0.100
local terms energy: -59.675349
where:
bonds (distance) C4'-P energy: -12.923
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -14.702
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -6.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -83.536928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.536928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.536928 (E_RNA)
where:
Base-Base interactions energy: -44.389
where: short stacking energy: -25.551
Base-Backbone interact. energy: -0.230
local terms energy: -38.917968
where:
bonds (distance) C4'-P energy: -8.706
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -10.195
flat angles P-C4'-P energy: -5.501
tors. eta vs tors. theta energy: 0.308
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: 9
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -250.740574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.740574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.740574 (E_RNA)
where:
Base-Base interactions energy: -167.480
where: short stacking energy: -72.689
Base-Backbone interact. energy: -0.265
local terms energy: -82.995157
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -9.516
tors. eta vs tors. theta energy: -18.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -260.413269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.413269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.413269 (E_RNA)
where:
Base-Base interactions energy: -181.318
where: short stacking energy: -59.458
Base-Backbone interact. energy: -0.464
local terms energy: -78.631426
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -5.485
tors. eta vs tors. theta energy: -21.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -234.391364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.391364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.391364 (E_RNA)
where:
Base-Base interactions energy: -158.060
where: short stacking energy: -76.866
Base-Backbone interact. energy: -0.453
local terms energy: -75.878053
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.458
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: 4, replica: 4
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -229.015795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.015795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.015795 (E_RNA)
where:
Base-Base interactions energy: -155.553
where: short stacking energy: -76.683
Base-Backbone interact. energy: -0.658
local terms energy: -72.805147
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -15.564
flat angles C4'-P-C4' energy: -10.580
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -22.637
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: 2
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -229.798062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.798062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.798062 (E_RNA)
where:
Base-Base interactions energy: -163.914
where: short stacking energy: -77.378
Base-Backbone interact. energy: 0.231
local terms energy: -66.114682
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -14.291
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -5.073
tors. eta vs tors. theta energy: -18.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -170.636407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.636407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.636407 (E_RNA)
where:
Base-Base interactions energy: -110.179
where: short stacking energy: -59.067
Base-Backbone interact. energy: -0.493
local terms energy: -59.964408
where:
bonds (distance) C4'-P energy: -11.927
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -5.103
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: 7, replica: 3
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -103.885439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.885439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.885439 (E_RNA)
where:
Base-Base interactions energy: -44.688
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.100
local terms energy: -59.097757
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -12.188
flat angles P-C4'-P energy: -6.519
tors. eta vs tors. theta energy: -6.732
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: 10
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -90.892224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.892224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.892224 (E_RNA)
where:
Base-Base interactions energy: -39.351
where: short stacking energy: -35.785
Base-Backbone interact. energy: -0.031
local terms energy: -51.510382
where:
bonds (distance) C4'-P energy: -7.737
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -14.676
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -99.396961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.396961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.396961 (E_RNA)
where:
Base-Base interactions energy: -42.713
where: short stacking energy: -40.550
Base-Backbone interact. energy: 0.072
local terms energy: -56.755753
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -6.344
tors. eta vs tors. theta energy: -3.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -80.067427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.067427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.067427 (E_RNA)
where:
Base-Base interactions energy: -33.282
where: short stacking energy: -33.482
Base-Backbone interact. energy: -0.377
local terms energy: -46.408207
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -11.687
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -4.532
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: 9
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -248.332740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.332740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.332740 (E_RNA)
where:
Base-Base interactions energy: -167.602
where: short stacking energy: -73.229
Base-Backbone interact. energy: -0.533
local terms energy: -80.197614
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -10.611
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -246.478740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.478740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.478740 (E_RNA)
where:
Base-Base interactions energy: -162.673
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.491
local terms energy: -83.314626
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -19.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -239.707513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.707513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.707513 (E_RNA)
where:
Base-Base interactions energy: -164.245
where: short stacking energy: -62.451
Base-Backbone interact. energy: -0.266
local terms energy: -75.196138
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -9.203
tors. eta vs tors. theta energy: -19.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -227.958358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.958358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.958358 (E_RNA)
where:
Base-Base interactions energy: -156.886
where: short stacking energy: -67.781
Base-Backbone interact. energy: -0.135
local terms energy: -70.937366
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -14.164
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -17.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -227.263975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.263975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.263975 (E_RNA)
where:
Base-Base interactions energy: -158.104
where: short stacking energy: -64.782
Base-Backbone interact. energy: -0.350
local terms energy: -68.810089
where:
bonds (distance) C4'-P energy: -14.067
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -14.770
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -18.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -184.920753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.920753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.920753 (E_RNA)
where:
Base-Base interactions energy: -115.156
where: short stacking energy: -65.139
Base-Backbone interact. energy: -0.147
local terms energy: -69.617662
where:
bonds (distance) C4'-P energy: -5.046
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -13.719
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -98.923896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.923896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.923896 (E_RNA)
where:
Base-Base interactions energy: -36.827
where: short stacking energy: -34.433
Base-Backbone interact. energy: -0.174
local terms energy: -61.922855
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -9.293
tors. eta vs tors. theta energy: -2.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -101.074733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.074733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.074733 (E_RNA)
where:
Base-Base interactions energy: -48.516
where: short stacking energy: -41.811
Base-Backbone interact. energy: -0.092
local terms energy: -52.466854
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -11.254
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -9.548
tors. eta vs tors. theta energy: -4.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -104.346984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.346984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.346984 (E_RNA)
where:
Base-Base interactions energy: -37.284
where: short stacking energy: -37.284
Base-Backbone interact. energy: -0.119
local terms energy: -66.944476
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -10.220
tors. eta vs tors. theta energy: -7.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -76.217588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.217588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.217588 (E_RNA)
where:
Base-Base interactions energy: -34.108
where: short stacking energy: -28.136
Base-Backbone interact. energy: -0.449
local terms energy: -41.659848
where:
bonds (distance) C4'-P energy: -7.555
bonds (distance) P-C4' energy: -10.634
flat angles C4'-P-C4' energy: -13.751
flat angles P-C4'-P energy: -7.508
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -251.783535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.783535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.783535 (E_RNA)
where:
Base-Base interactions energy: -171.594
where: short stacking energy: -73.856
Base-Backbone interact. energy: 0.463
local terms energy: -80.653518
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -15.694
flat angles P-C4'-P energy: -13.779
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: 2, replica: 6
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -237.483738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.483738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.483738 (E_RNA)
where:
Base-Base interactions energy: -161.141
where: short stacking energy: -69.663
Base-Backbone interact. energy: -0.548
local terms energy: -75.794074
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -8.242
tors. eta vs tors. theta energy: -21.302
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: 214
Temperature: 1.000000
Total energy: -241.820776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.820776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.820776 (E_RNA)
where:
Base-Base interactions energy: -158.728
where: short stacking energy: -77.542
Base-Backbone interact. energy: -1.281
local terms energy: -81.811855
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -20.035
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: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -237.438804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.438804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.438804 (E_RNA)
where:
Base-Base interactions energy: -170.385
where: short stacking energy: -60.077
Base-Backbone interact. energy: 0.457
local terms energy: -67.511558
where:
bonds (distance) C4'-P energy: -12.809
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -15.119
flat angles P-C4'-P energy: -7.646
tors. eta vs tors. theta energy: -14.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -234.759339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.759339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.759339 (E_RNA)
where:
Base-Base interactions energy: -153.048
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.852
local terms energy: -80.859267
where:
bonds (distance) C4'-P energy: -12.444
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -10.145
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: 6, replica: 5
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -188.202973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.202973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.202973 (E_RNA)
where:
Base-Base interactions energy: -116.508
where: short stacking energy: -64.779
Base-Backbone interact. energy: -0.138
local terms energy: -71.557267
where:
bonds (distance) C4'-P energy: -9.753
bonds (distance) P-C4' energy: -17.740
flat angles C4'-P-C4' energy: -14.670
flat angles P-C4'-P energy: -13.176
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -84.931795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.931795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.931795 (E_RNA)
where:
Base-Base interactions energy: -30.199
where: short stacking energy: -25.670
Base-Backbone interact. energy: -0.215
local terms energy: -54.517092
where:
bonds (distance) C4'-P energy: -10.735
bonds (distance) P-C4' energy: -17.006
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -2.102
tors. eta vs tors. theta energy: -6.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -107.649895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.649895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.649895 (E_RNA)
where:
Base-Base interactions energy: -40.396
where: short stacking energy: -34.666
Base-Backbone interact. energy: -0.063
local terms energy: -67.191337
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -7.010
tors. eta vs tors. theta energy: -14.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -92.378433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.378433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.378433 (E_RNA)
where:
Base-Base interactions energy: -38.730
where: short stacking energy: -30.876
Base-Backbone interact. energy: -0.326
local terms energy: -53.322483
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -11.411
flat angles P-C4'-P energy: -10.338
tors. eta vs tors. theta energy: 3.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -80.811795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.811795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.811795 (E_RNA)
where:
Base-Base interactions energy: -29.914
where: short stacking energy: -15.593
Base-Backbone interact. energy: -0.513
local terms energy: -50.385542
where:
bonds (distance) C4'-P energy: -7.225
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: 1.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -251.983929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.983929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.983929 (E_RNA)
where:
Base-Base interactions energy: -175.642
where: short stacking energy: -68.237
Base-Backbone interact. energy: 0.196
local terms energy: -76.538384
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -15.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -249.310021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.310021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.310021 (E_RNA)
where:
Base-Base interactions energy: -170.389
where: short stacking energy: -64.639
Base-Backbone interact. energy: 0.434
local terms energy: -79.354878
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -19.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -229.409761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.409761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.409761 (E_RNA)
where:
Base-Base interactions energy: -155.490
where: short stacking energy: -69.184
Base-Backbone interact. energy: -0.304
local terms energy: -73.615703
where:
bonds (distance) C4'-P energy: -12.194
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -10.811
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: 4, replica: 4
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -231.879069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.879069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.879069 (E_RNA)
where:
Base-Base interactions energy: -157.996
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.272
local terms energy: -73.610657
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -10.153
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -18.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -236.972009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.972009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.972009 (E_RNA)
where:
Base-Base interactions energy: -162.520
where: short stacking energy: -69.432
Base-Backbone interact. energy: -0.291
local terms energy: -74.160499
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -12.083
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -17.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -184.864499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.864499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.864499 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -55.773
Base-Backbone interact. energy: -0.149
local terms energy: -67.818278
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -13.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -100.259239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259239 (E_RNA)
where:
Base-Base interactions energy: -40.019
where: short stacking energy: -40.019
Base-Backbone interact. energy: -0.124
local terms energy: -60.116987
where:
bonds (distance) C4'-P energy: -17.180
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -10.493
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -4.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -90.485057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.485057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.485057 (E_RNA)
where:
Base-Base interactions energy: -36.594
where: short stacking energy: -36.346
Base-Backbone interact. energy: -0.242
local terms energy: -53.649137
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -9.808
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -5.937
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -94.150501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.150501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.150501 (E_RNA)
where:
Base-Base interactions energy: -43.141
where: short stacking energy: -38.680
Base-Backbone interact. energy: -0.444
local terms energy: -50.565484
where:
bonds (distance) C4'-P energy: -13.648
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -10.794
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -81.468306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.468306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.468306 (E_RNA)
where:
Base-Base interactions energy: -24.902
where: short stacking energy: -24.902
Base-Backbone interact. energy: -0.589
local terms energy: -55.977538
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -14.124
flat angles C4'-P-C4' energy: -9.895
flat angles P-C4'-P energy: -12.886
tors. eta vs tors. theta energy: -3.758
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: 9
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -262.049349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.049349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.049349 (E_RNA)
where:
Base-Base interactions energy: -187.399
where: short stacking energy: -73.989
Base-Backbone interact. energy: -0.318
local terms energy: -74.332134
where:
bonds (distance) C4'-P energy: -12.118
bonds (distance) P-C4' energy: -16.760
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -261.855576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.855576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.855576 (E_RNA)
where:
Base-Base interactions energy: -179.685
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.898
local terms energy: -81.272803
where:
bonds (distance) C4'-P energy: -13.743
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -18.354
flat angles P-C4'-P energy: -14.302
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: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -235.556240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.556240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.556240 (E_RNA)
where:
Base-Base interactions energy: -163.349
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.514
local terms energy: -71.692722
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -17.781
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -231.340868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.340868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.340868 (E_RNA)
where:
Base-Base interactions energy: -155.921
where: short stacking energy: -76.735
Base-Backbone interact. energy: -1.543
local terms energy: -73.877127
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -14.475
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -196.493392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.493392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.493392 (E_RNA)
where:
Base-Base interactions energy: -117.379
where: short stacking energy: -57.507
Base-Backbone interact. energy: -0.030
local terms energy: -79.083995
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -221.478106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.478106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.478106 (E_RNA)
where:
Base-Base interactions energy: -151.605
where: short stacking energy: -66.199
Base-Backbone interact. energy: -0.641
local terms energy: -69.232431
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -15.032
flat angles P-C4'-P energy: -10.736
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: 7
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -97.286067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.286067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.286067 (E_RNA)
where:
Base-Base interactions energy: -41.333
where: short stacking energy: -34.876
Base-Backbone interact. energy: -0.039
local terms energy: -55.913620
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -14.353
flat angles C4'-P-C4' energy: -13.932
flat angles P-C4'-P energy: -6.984
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -90.461742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.461742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.461742 (E_RNA)
where:
Base-Base interactions energy: -37.824
where: short stacking energy: -37.501
Base-Backbone interact. energy: -0.220
local terms energy: -52.417435
where:
bonds (distance) C4'-P energy: -9.517
bonds (distance) P-C4' energy: -10.144
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -4.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -95.066984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.066984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.066984 (E_RNA)
where:
Base-Base interactions energy: -37.454
where: short stacking energy: -37.454
Base-Backbone interact. energy: -0.134
local terms energy: -57.478666
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -13.466
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -7.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -81.268941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.268941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.268941 (E_RNA)
where:
Base-Base interactions energy: -35.058
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.277
local terms energy: -45.934053
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -13.400
flat angles C4'-P-C4' energy: -11.520
flat angles P-C4'-P energy: -7.217
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: 9
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -262.721950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.721950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.721950 (E_RNA)
where:
Base-Base interactions energy: -197.772
where: short stacking energy: -68.416
Base-Backbone interact. energy: 1.867
local terms energy: -66.816684
where:
bonds (distance) C4'-P energy: -14.249
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -7.921
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: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -227.628366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.628366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.628366 (E_RNA)
where:
Base-Base interactions energy: -150.538
where: short stacking energy: -64.030
Base-Backbone interact. energy: -0.207
local terms energy: -76.883612
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -10.588
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: 3, replica: 2
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -240.123191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.123191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.123191 (E_RNA)
where:
Base-Base interactions energy: -162.644
where: short stacking energy: -70.733
Base-Backbone interact. energy: -0.087
local terms energy: -77.392919
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.272
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -7.221
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -199.523679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.523679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.523679 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -69.545
Base-Backbone interact. energy: -0.114
local terms energy: -69.956188
where:
bonds (distance) C4'-P energy: -12.736
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -8.451
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: 5, replica: 6
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -224.364698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.364698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.364698 (E_RNA)
where:
Base-Base interactions energy: -153.940
where: short stacking energy: -62.068
Base-Backbone interact. energy: 0.502
local terms energy: -70.927103
where:
bonds (distance) C4'-P energy: -13.897
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -225.270510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.270510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.270510 (E_RNA)
where:
Base-Base interactions energy: -152.475
where: short stacking energy: -63.344
Base-Backbone interact. energy: -2.569
local terms energy: -70.227154
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -129.156694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.156694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.156694 (E_RNA)
where:
Base-Base interactions energy: -61.373
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.102
local terms energy: -67.682269
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -87.424820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.424820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.424820 (E_RNA)
where:
Base-Base interactions energy: -41.805
where: short stacking energy: -34.680
Base-Backbone interact. energy: 0.981
local terms energy: -46.600993
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -8.771
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -2.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -85.945072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.945072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.945072 (E_RNA)
where:
Base-Base interactions energy: -34.709
where: short stacking energy: -34.709
Base-Backbone interact. energy: 1.243
local terms energy: -52.478440
where:
bonds (distance) C4'-P energy: -12.638
bonds (distance) P-C4' energy: -12.374
flat angles C4'-P-C4' energy: -14.413
flat angles P-C4'-P energy: -6.370
tors. eta vs tors. theta energy: -6.683
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: 217
Temperature: 1.350000
Total energy: -82.573752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.573752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.573752 (E_RNA)
where:
Base-Base interactions energy: -24.143
where: short stacking energy: -24.143
Base-Backbone interact. energy: -0.132
local terms energy: -58.298474
where:
bonds (distance) C4'-P energy: -7.695
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -13.841
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -5.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -252.705640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.705640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.705640 (E_RNA)
where:
Base-Base interactions energy: -178.584
where: short stacking energy: -73.331
Base-Backbone interact. energy: -1.073
local terms energy: -73.048945
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -10.290
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: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -234.000056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.000056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.000056 (E_RNA)
where:
Base-Base interactions energy: -165.259
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.217
local terms energy: -68.523606
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -14.927
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -16.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -251.753162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.753162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.753162 (E_RNA)
where:
Base-Base interactions energy: -169.466
where: short stacking energy: -67.741
Base-Backbone interact. energy: 0.743
local terms energy: -83.030462
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -20.107
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -16.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -213.904123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.904123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.904123 (E_RNA)
where:
Base-Base interactions energy: -140.168
where: short stacking energy: -71.780
Base-Backbone interact. energy: -0.189
local terms energy: -73.546510
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -18.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -223.673591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.673591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.673591 (E_RNA)
where:
Base-Base interactions energy: -143.393
where: short stacking energy: -67.159
Base-Backbone interact. energy: -0.872
local terms energy: -79.409259
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -18.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -221.607405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.607405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.607405 (E_RNA)
where:
Base-Base interactions energy: -157.844
where: short stacking energy: -61.553
Base-Backbone interact. energy: -0.165
local terms energy: -63.598656
where:
bonds (distance) C4'-P energy: -12.583
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -12.137
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -12.698
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: 7
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -180.557846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.557846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.557846 (E_RNA)
where:
Base-Base interactions energy: -110.606
where: short stacking energy: -50.628
Base-Backbone interact. energy: -0.283
local terms energy: -69.668326
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -13.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -94.557690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.557690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.557690 (E_RNA)
where:
Base-Base interactions energy: -33.791
where: short stacking energy: -30.805
Base-Backbone interact. energy: 0.810
local terms energy: -61.577209
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -6.787
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: 9, replica: 3
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -87.770962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.770962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.770962 (E_RNA)
where:
Base-Base interactions energy: -34.556
where: short stacking energy: -18.330
Base-Backbone interact. energy: -0.072
local terms energy: -53.142802
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: 1.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -90.682061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.682061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.682061 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -32.905
Base-Backbone interact. energy: -0.822
local terms energy: -56.954986
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -12.962
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -8.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -249.315310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.315310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.315310 (E_RNA)
where:
Base-Base interactions energy: -171.268
where: short stacking energy: -74.647
Base-Backbone interact. energy: -0.616
local terms energy: -77.431405
where:
bonds (distance) C4'-P energy: -10.425
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -11.741
tors. eta vs tors. theta energy: -20.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -245.504903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.504903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.504903 (E_RNA)
where:
Base-Base interactions energy: -167.064
where: short stacking energy: -64.867
Base-Backbone interact. energy: -0.431
local terms energy: -78.009795
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -16.724
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -16.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -239.575825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.575825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.575825 (E_RNA)
where:
Base-Base interactions energy: -166.412
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.210
local terms energy: -72.954011
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.931
flat angles C4'-P-C4' energy: -10.894
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -238.984185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.984185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.984185 (E_RNA)
where:
Base-Base interactions energy: -160.570
where: short stacking energy: -69.645
Base-Backbone interact. energy: -0.129
local terms energy: -78.284729
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -15.303
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -186.726128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.726128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.726128 (E_RNA)
where:
Base-Base interactions energy: -114.787
where: short stacking energy: -70.792
Base-Backbone interact. energy: -0.103
local terms energy: -71.836343
where:
bonds (distance) C4'-P energy: -10.374
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -13.202
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -23.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -178.466780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.466780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.466780 (E_RNA)
where:
Base-Base interactions energy: -113.826
where: short stacking energy: -59.116
Base-Backbone interact. energy: 0.166
local terms energy: -64.806950
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -7.549
tors. eta vs tors. theta energy: -10.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -201.532218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.532218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.532218 (E_RNA)
where:
Base-Base interactions energy: -129.364
where: short stacking energy: -57.907
Base-Backbone interact. energy: -0.325
local terms energy: -71.842486
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -11.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -126.633087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.633087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.633087 (E_RNA)
where:
Base-Base interactions energy: -56.212
where: short stacking energy: -37.106
Base-Backbone interact. energy: -0.406
local terms energy: -70.015344
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -81.781351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.781351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.781351 (E_RNA)
where:
Base-Base interactions energy: -33.793
where: short stacking energy: -28.153
Base-Backbone interact. energy: -0.276
local terms energy: -47.712654
where:
bonds (distance) C4'-P energy: -7.472
bonds (distance) P-C4' energy: -12.898
flat angles C4'-P-C4' energy: -13.357
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -3.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -80.131448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.131448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.131448 (E_RNA)
where:
Base-Base interactions energy: -24.895
where: short stacking energy: -19.551
Base-Backbone interact. energy: -0.263
local terms energy: -54.973434
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -10.580
tors. eta vs tors. theta energy: -4.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -251.387819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.387819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.387819 (E_RNA)
where:
Base-Base interactions energy: -176.195
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.850
local terms energy: -74.342396
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -19.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -244.448319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.448319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.448319 (E_RNA)
where:
Base-Base interactions energy: -175.610
where: short stacking energy: -61.251
Base-Backbone interact. energy: -0.153
local terms energy: -68.684433
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -14.364
flat angles P-C4'-P energy: -11.443
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -233.511862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.511862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.511862 (E_RNA)
where:
Base-Base interactions energy: -162.344
where: short stacking energy: -72.503
Base-Backbone interact. energy: -0.263
local terms energy: -70.904716
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -230.860978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.860978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.860978 (E_RNA)
where:
Base-Base interactions energy: -157.414
where: short stacking energy: -57.460
Base-Backbone interact. energy: -0.610
local terms energy: -72.836552
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -13.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -188.564879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.564879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.564879 (E_RNA)
where:
Base-Base interactions energy: -117.184
where: short stacking energy: -59.428
Base-Backbone interact. energy: -0.004
local terms energy: -71.376504
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -12.983
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -17.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -171.847537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.847537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.847537 (E_RNA)
where:
Base-Base interactions energy: -95.355
where: short stacking energy: -54.078
Base-Backbone interact. energy: -0.667
local terms energy: -75.824859
where:
bonds (distance) C4'-P energy: -14.374
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -226.041091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.041091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.041091 (E_RNA)
where:
Base-Base interactions energy: -155.022
where: short stacking energy: -65.230
Base-Backbone interact. energy: -0.128
local terms energy: -70.890913
where:
bonds (distance) C4'-P energy: -17.794
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -17.009
flat angles P-C4'-P energy: -9.532
tors. eta vs tors. theta energy: -12.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -84.310186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.310186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.310186 (E_RNA)
where:
Base-Base interactions energy: -36.326
where: short stacking energy: -23.303
Base-Backbone interact. energy: -1.659
local terms energy: -46.324657
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -8.330
tors. eta vs tors. theta energy: 2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -99.255153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.255153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.255153 (E_RNA)
where:
Base-Base interactions energy: -38.181
where: short stacking energy: -35.123
Base-Backbone interact. energy: -0.135
local terms energy: -60.939847
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -13.682
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -5.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -88.967471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.967471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.967471 (E_RNA)
where:
Base-Base interactions energy: -34.359
where: short stacking energy: -23.774
Base-Backbone interact. energy: -0.046
local terms energy: -54.562887
where:
bonds (distance) C4'-P energy: -12.622
bonds (distance) P-C4' energy: -13.728
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -7.763
tors. eta vs tors. theta energy: -6.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -252.120666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.120666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.120666 (E_RNA)
where:
Base-Base interactions energy: -166.831
where: short stacking energy: -72.227
Base-Backbone interact. energy: -1.501
local terms energy: -83.788973
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -11.027
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -244.265419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.265419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.265419 (E_RNA)
where:
Base-Base interactions energy: -163.482
where: short stacking energy: -74.415
Base-Backbone interact. energy: 0.008
local terms energy: -80.791138
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -14.524
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -11.658
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: 3, replica: 2
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -247.288652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.288652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.288652 (E_RNA)
where:
Base-Base interactions energy: -173.233
where: short stacking energy: -64.060
Base-Backbone interact. energy: -0.165
local terms energy: -73.890780
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.993
tors. eta vs tors. theta energy: -14.924
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: 221
Temperature: 1.050000
Total energy: -238.229220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.229220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.229220 (E_RNA)
where:
Base-Base interactions energy: -164.477
where: short stacking energy: -67.776
Base-Backbone interact. energy: -0.376
local terms energy: -73.376369
where:
bonds (distance) C4'-P energy: -12.778
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -13.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -175.089907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.089907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.089907 (E_RNA)
where:
Base-Base interactions energy: -118.838
where: short stacking energy: -47.336
Base-Backbone interact. energy: -0.397
local terms energy: -55.854535
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: -7.661
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: 6
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -204.831425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.831425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.831425 (E_RNA)
where:
Base-Base interactions energy: -140.496
where: short stacking energy: -58.583
Base-Backbone interact. energy: 1.085
local terms energy: -65.420652
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -6.221
flat angles C4'-P-C4' energy: -9.213
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -20.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -156.801713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.801713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.801713 (E_RNA)
where:
Base-Base interactions energy: -101.211
where: short stacking energy: -47.319
Base-Backbone interact. energy: -0.097
local terms energy: -55.493289
where:
bonds (distance) C4'-P energy: -11.612
bonds (distance) P-C4' energy: -9.559
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -11.143
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: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -88.682771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.682771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.682771 (E_RNA)
where:
Base-Base interactions energy: -32.274
where: short stacking energy: -25.960
Base-Backbone interact. energy: 0.242
local terms energy: -56.651042
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -4.488
tors. eta vs tors. theta energy: -4.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -90.345821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.345821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.345821 (E_RNA)
where:
Base-Base interactions energy: -37.637
where: short stacking energy: -36.016
Base-Backbone interact. energy: 0.315
local terms energy: -53.023408
where:
bonds (distance) C4'-P energy: -13.016
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -16.089
flat angles P-C4'-P energy: -9.896
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: 10, replica: 10
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -85.210672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.210672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.210672 (E_RNA)
where:
Base-Base interactions energy: -33.520
where: short stacking energy: -31.302
Base-Backbone interact. energy: -1.158
local terms energy: -50.532871
where:
bonds (distance) C4'-P energy: -12.207
bonds (distance) P-C4' energy: -10.933
flat angles C4'-P-C4' energy: -9.727
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -6.300
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: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -256.185768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.185768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.185768 (E_RNA)
where:
Base-Base interactions energy: -180.791
where: short stacking energy: -75.293
Base-Backbone interact. energy: -0.568
local terms energy: -74.826912
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -13.331
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -21.129
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: 1
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -241.996665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.996665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.996665 (E_RNA)
where:
Base-Base interactions energy: -159.847
where: short stacking energy: -70.716
Base-Backbone interact. energy: -0.203
local terms energy: -81.946708
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -16.775
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -18.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -242.263945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.263945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.263945 (E_RNA)
where:
Base-Base interactions energy: -171.216
where: short stacking energy: -59.199
Base-Backbone interact. energy: -0.195
local terms energy: -70.853362
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -17.006
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: 4
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -222.866339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.866339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.866339 (E_RNA)
where:
Base-Base interactions energy: -147.965
where: short stacking energy: -65.087
Base-Backbone interact. energy: -0.295
local terms energy: -74.605905
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -12.526
tors. eta vs tors. theta energy: -12.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -226.134077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.134077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.134077 (E_RNA)
where:
Base-Base interactions energy: -159.179
where: short stacking energy: -65.834
Base-Backbone interact. energy: -0.048
local terms energy: -66.907620
where:
bonds (distance) C4'-P energy: -11.999
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -7.490
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: 6, replica: 7
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -167.606584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.606584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.606584 (E_RNA)
where:
Base-Base interactions energy: -94.433
where: short stacking energy: -49.627
Base-Backbone interact. energy: -0.347
local terms energy: -72.826844
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -10.699
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -150.132202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.132202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.132202 (E_RNA)
where:
Base-Base interactions energy: -85.750
where: short stacking energy: -42.281
Base-Backbone interact. energy: -0.061
local terms energy: -64.321920
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -12.848
flat angles P-C4'-P energy: -11.557
tors. eta vs tors. theta energy: -7.693
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: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -90.654078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.654078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.654078 (E_RNA)
where:
Base-Base interactions energy: -36.172
where: short stacking energy: -36.172
Base-Backbone interact. energy: -0.067
local terms energy: -54.415417
where:
bonds (distance) C4'-P energy: -15.309
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -10.187
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -3.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -83.970513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.970513 (E_RNA)
where:
Base-Base interactions energy: -29.295
where: short stacking energy: -29.244
Base-Backbone interact. energy: -0.094
local terms energy: -54.582295
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -9.468
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -3.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -96.602918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.602918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.602918 (E_RNA)
where:
Base-Base interactions energy: -39.715
where: short stacking energy: -36.133
Base-Backbone interact. energy: -0.584
local terms energy: -56.303564
where:
bonds (distance) C4'-P energy: -14.190
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -11.370
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -3.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -254.035637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.035637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.035637 (E_RNA)
where:
Base-Base interactions energy: -178.177
where: short stacking energy: -78.054
Base-Backbone interact. energy: -0.943
local terms energy: -74.916234
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -11.904
flat angles C4'-P-C4' energy: -15.517
flat angles P-C4'-P energy: -10.382
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: 2
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -253.553459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.553459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.553459 (E_RNA)
where:
Base-Base interactions energy: -177.683
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.866
local terms energy: -75.004650
where:
bonds (distance) C4'-P energy: -16.052
bonds (distance) P-C4' energy: -17.831
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -5.826
tors. eta vs tors. theta energy: -18.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -232.442027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.442027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.442027 (E_RNA)
where:
Base-Base interactions energy: -153.082
where: short stacking energy: -67.666
Base-Backbone interact. energy: -0.498
local terms energy: -78.862333
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -225.680553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.680553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.680553 (E_RNA)
where:
Base-Base interactions energy: -153.679
where: short stacking energy: -69.612
Base-Backbone interact. energy: -0.127
local terms energy: -71.874286
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -12.353
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -12.024
tors. eta vs tors. theta energy: -15.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -218.601495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.601495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.601495 (E_RNA)
where:
Base-Base interactions energy: -145.721
where: short stacking energy: -61.883
Base-Backbone interact. energy: -0.164
local terms energy: -72.716736
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -8.337
tors. eta vs tors. theta energy: -16.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -181.285529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.285529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.285529 (E_RNA)
where:
Base-Base interactions energy: -120.161
where: short stacking energy: -54.897
Base-Backbone interact. energy: -0.220
local terms energy: -60.904613
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -14.961
flat angles C4'-P-C4' energy: -15.884
flat angles P-C4'-P energy: -3.364
tors. eta vs tors. theta energy: -13.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -154.820545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.820545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.820545 (E_RNA)
where:
Base-Base interactions energy: -91.033
where: short stacking energy: -57.982
Base-Backbone interact. energy: -0.090
local terms energy: -63.698203
where:
bonds (distance) C4'-P energy: -10.524
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -6.720
tors. eta vs tors. theta energy: -12.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -92.274550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.274550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.274550 (E_RNA)
where:
Base-Base interactions energy: -36.874
where: short stacking energy: -28.594
Base-Backbone interact. energy: -0.137
local terms energy: -55.263059
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -4.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -94.238920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.238920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.238920 (E_RNA)
where:
Base-Base interactions energy: -37.247
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.101
local terms energy: -56.891512
where:
bonds (distance) C4'-P energy: -13.439
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -10.969
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -5.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -80.927971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.927971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.927971 (E_RNA)
where:
Base-Base interactions energy: -24.511
where: short stacking energy: -20.851
Base-Backbone interact. energy: -0.101
local terms energy: -56.316858
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -1.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -248.897090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.897090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.897090 (E_RNA)
where:
Base-Base interactions energy: -164.244
where: short stacking energy: -68.522
Base-Backbone interact. energy: -1.048
local terms energy: -83.605330
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -14.849
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.572
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: 2, replica: 9
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -244.973977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.973977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.973977 (E_RNA)
where:
Base-Base interactions energy: -166.438
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.413
local terms energy: -78.123026
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -18.162
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -231.233810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.233810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.233810 (E_RNA)
where:
Base-Base interactions energy: -162.222
where: short stacking energy: -65.831
Base-Backbone interact. energy: -0.340
local terms energy: -68.672038
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -16.101
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -6.492
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: 4, replica: 1
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -234.637936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637936 (E_RNA)
where:
Base-Base interactions energy: -162.957
where: short stacking energy: -65.562
Base-Backbone interact. energy: -1.150
local terms energy: -70.530948
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.247
flat angles P-C4'-P energy: -3.745
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: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -227.339984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.339984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.339984 (E_RNA)
where:
Base-Base interactions energy: -152.064
where: short stacking energy: -64.405
Base-Backbone interact. energy: -0.456
local terms energy: -74.820251
where:
bonds (distance) C4'-P energy: -15.932
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -156.857328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.857328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.857328 (E_RNA)
where:
Base-Base interactions energy: -96.094
where: short stacking energy: -39.440
Base-Backbone interact. energy: -0.368
local terms energy: -60.395459
where:
bonds (distance) C4'-P energy: -9.535
bonds (distance) P-C4' energy: -14.266
flat angles C4'-P-C4' energy: -17.946
flat angles P-C4'-P energy: -6.050
tors. eta vs tors. theta energy: -12.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -101.390691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.390691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.390691 (E_RNA)
where:
Base-Base interactions energy: -50.361
where: short stacking energy: -34.980
Base-Backbone interact. energy: 0.384
local terms energy: -51.414200
where:
bonds (distance) C4'-P energy: -13.781
bonds (distance) P-C4' energy: -13.790
flat angles C4'-P-C4' energy: -13.007
flat angles P-C4'-P energy: -5.927
tors. eta vs tors. theta energy: -4.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -101.095922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.095922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.095922 (E_RNA)
where:
Base-Base interactions energy: -42.946
where: short stacking energy: -39.919
Base-Backbone interact. energy: 0.331
local terms energy: -58.480676
where:
bonds (distance) C4'-P energy: -9.803
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -6.886
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: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -95.089236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.089236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.089236 (E_RNA)
where:
Base-Base interactions energy: -46.809
where: short stacking energy: -33.217
Base-Backbone interact. energy: -0.397
local terms energy: -47.883311
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -8.123
tors. eta vs tors. theta energy: -1.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -85.429922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.429922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.429922 (E_RNA)
where:
Base-Base interactions energy: -27.852
where: short stacking energy: -27.404
Base-Backbone interact. energy: -0.059
local terms energy: -57.518352
where:
bonds (distance) C4'-P energy: -8.509
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -9.094
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -246.800293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.800293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.800293 (E_RNA)
where:
Base-Base interactions energy: -168.365
where: short stacking energy: -74.552
Base-Backbone interact. energy: 0.394
local terms energy: -78.829780
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.407
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: 2, replica: 6
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -247.382785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.382785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.382785 (E_RNA)
where:
Base-Base interactions energy: -178.325
where: short stacking energy: -64.284
Base-Backbone interact. energy: 0.263
local terms energy: -69.321016
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -12.250
flat angles P-C4'-P energy: -11.118
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: 3, replica: 9
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -230.790508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.790508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.790508 (E_RNA)
where:
Base-Base interactions energy: -149.064
where: short stacking energy: -70.746
Base-Backbone interact. energy: -0.820
local terms energy: -80.906642
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -18.898
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -223.710100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.710100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.710100 (E_RNA)
where:
Base-Base interactions energy: -149.815
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.336
local terms energy: -73.559151
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -223.703376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.703376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.703376 (E_RNA)
where:
Base-Base interactions energy: -151.100
where: short stacking energy: -58.496
Base-Backbone interact. energy: -0.884
local terms energy: -71.719515
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -12.433
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -13.701
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: 6, replica: 5
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -160.270415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.270415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.270415 (E_RNA)
where:
Base-Base interactions energy: -90.578
where: short stacking energy: -52.764
Base-Backbone interact. energy: -0.101
local terms energy: -69.590882
where:
bonds (distance) C4'-P energy: -14.962
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -11.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -100.223216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.223216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.223216 (E_RNA)
where:
Base-Base interactions energy: -46.274
where: short stacking energy: -39.307
Base-Backbone interact. energy: 0.135
local terms energy: -54.084141
where:
bonds (distance) C4'-P energy: -8.519
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -82.077345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.077345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.077345 (E_RNA)
where:
Base-Base interactions energy: -30.562
where: short stacking energy: -29.026
Base-Backbone interact. energy: -0.229
local terms energy: -51.285965
where:
bonds (distance) C4'-P energy: -15.475
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -13.757
flat angles P-C4'-P energy: -4.493
tors. eta vs tors. theta energy: 0.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -85.362906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.362906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.362906 (E_RNA)
where:
Base-Base interactions energy: -28.031
where: short stacking energy: -28.031
Base-Backbone interact. energy: -0.170
local terms energy: -57.162116
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -14.047
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -7.713
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: 3
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -96.851674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.851674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.851674 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -28.897
Base-Backbone interact. energy: 1.002
local terms energy: -60.961331
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -250.182796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.182796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.182796 (E_RNA)
where:
Base-Base interactions energy: -177.181
where: short stacking energy: -72.029
Base-Backbone interact. energy: 1.218
local terms energy: -74.220387
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -9.092
tors. eta vs tors. theta energy: -15.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -243.348838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.348838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.348838 (E_RNA)
where:
Base-Base interactions energy: -166.179
where: short stacking energy: -66.295
Base-Backbone interact. energy: -0.217
local terms energy: -76.953122
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -17.148
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -16.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -229.621062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.621062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.621062 (E_RNA)
where:
Base-Base interactions energy: -145.921
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.267
local terms energy: -83.433075
where:
bonds (distance) C4'-P energy: -17.254
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -213.473569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.473569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.473569 (E_RNA)
where:
Base-Base interactions energy: -146.882
where: short stacking energy: -53.391
Base-Backbone interact. energy: 0.489
local terms energy: -67.080312
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -12.161
flat angles P-C4'-P energy: -10.688
tors. eta vs tors. theta energy: -10.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -216.491230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.491230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.491230 (E_RNA)
where:
Base-Base interactions energy: -147.627
where: short stacking energy: -59.072
Base-Backbone interact. energy: 0.150
local terms energy: -69.013693
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -11.625
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -12.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -151.755161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.755161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.755161 (E_RNA)
where:
Base-Base interactions energy: -85.806
where: short stacking energy: -44.499
Base-Backbone interact. energy: -0.246
local terms energy: -65.703366
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -13.949
flat angles C4'-P-C4' energy: -16.415
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: -9.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -113.603105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.603105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.603105 (E_RNA)
where:
Base-Base interactions energy: -49.537
where: short stacking energy: -42.429
Base-Backbone interact. energy: -0.092
local terms energy: -63.974589
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -11.739
tors. eta vs tors. theta energy: -6.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -87.335876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335876 (E_RNA)
where:
Base-Base interactions energy: -32.806
where: short stacking energy: -31.757
Base-Backbone interact. energy: -0.115
local terms energy: -54.414745
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -0.883
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: 3
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -88.382832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.382832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.382832 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -23.485
Base-Backbone interact. energy: 0.987
local terms energy: -53.443705
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -6.746
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: 7
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -85.355627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.355627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.355627 (E_RNA)
where:
Base-Base interactions energy: -32.500
where: short stacking energy: -32.500
Base-Backbone interact. energy: -0.009
local terms energy: -52.845736
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -6.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -248.614555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.614555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.614555 (E_RNA)
where:
Base-Base interactions energy: -167.654
where: short stacking energy: -79.710
Base-Backbone interact. energy: -0.393
local terms energy: -80.567511
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -18.282
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: 2, replica: 2
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -246.132904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.132904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.132904 (E_RNA)
where:
Base-Base interactions energy: -167.006
where: short stacking energy: -62.096
Base-Backbone interact. energy: -0.313
local terms energy: -78.813517
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -17.446
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -14.476
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: 3, replica: 9
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -242.147997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.147997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.147997 (E_RNA)
where:
Base-Base interactions energy: -169.553
where: short stacking energy: -67.014
Base-Backbone interact. energy: -0.319
local terms energy: -72.276021
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -13.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -227.369520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.369520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.369520 (E_RNA)
where:
Base-Base interactions energy: -156.105
where: short stacking energy: -67.362
Base-Backbone interact. energy: -0.914
local terms energy: -70.350874
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -15.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -217.951488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.951488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.951488 (E_RNA)
where:
Base-Base interactions energy: -144.727
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.087
local terms energy: -73.137472
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -16.504
flat angles P-C4'-P energy: -12.044
tors. eta vs tors. theta energy: -11.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -151.870475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.870475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.870475 (E_RNA)
where:
Base-Base interactions energy: -89.547
where: short stacking energy: -48.531
Base-Backbone interact. energy: -0.197
local terms energy: -62.126372
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -4.210
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: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -100.588700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.588700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.588700 (E_RNA)
where:
Base-Base interactions energy: -51.744
where: short stacking energy: -29.796
Base-Backbone interact. energy: -0.686
local terms energy: -48.158406
where:
bonds (distance) C4'-P energy: -18.563
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -5.427
tors. eta vs tors. theta energy: 4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -87.973797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.973797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.973797 (E_RNA)
where:
Base-Base interactions energy: -38.330
where: short stacking energy: -31.977
Base-Backbone interact. energy: -1.004
local terms energy: -48.640644
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -16.728
flat angles P-C4'-P energy: -1.642
tors. eta vs tors. theta energy: -3.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.038847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.038847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.038847 (E_RNA)
where:
Base-Base interactions energy: -30.376
where: short stacking energy: -26.542
Base-Backbone interact. energy: 3.209
local terms energy: -59.871918
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -15.378
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -7.900
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: 7
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -86.067502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.067502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.067502 (E_RNA)
where:
Base-Base interactions energy: -28.150
where: short stacking energy: -19.813
Base-Backbone interact. energy: -1.529
local terms energy: -56.388321
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -16.360
flat angles C4'-P-C4' energy: -16.385
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -0.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -259.728842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.728842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.728842 (E_RNA)
where:
Base-Base interactions energy: -177.888
where: short stacking energy: -66.436
Base-Backbone interact. energy: -0.354
local terms energy: -81.487047
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.960
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: 2, replica: 6
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -242.492682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.492682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.492682 (E_RNA)
where:
Base-Base interactions energy: -169.297
where: short stacking energy: -69.331
Base-Backbone interact. energy: -0.481
local terms energy: -72.714920
where:
bonds (distance) C4'-P energy: -10.076
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -14.001
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: 3, replica: 1
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -240.476540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.476540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.476540 (E_RNA)
where:
Base-Base interactions energy: -164.213
where: short stacking energy: -70.975
Base-Backbone interact. energy: -2.020
local terms energy: -74.243310
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -15.114
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -15.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -238.436289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.436289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.436289 (E_RNA)
where:
Base-Base interactions energy: -175.420
where: short stacking energy: -66.947
Base-Backbone interact. energy: -0.617
local terms energy: -62.399263
where:
bonds (distance) C4'-P energy: -9.853
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -8.549
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: 5, replica: 4
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -224.043737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.043737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.043737 (E_RNA)
where:
Base-Base interactions energy: -150.278
where: short stacking energy: -63.424
Base-Backbone interact. energy: -0.031
local terms energy: -73.734732
where:
bonds (distance) C4'-P energy: -10.660
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -15.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -155.611576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.611576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.611576 (E_RNA)
where:
Base-Base interactions energy: -88.568
where: short stacking energy: -58.067
Base-Backbone interact. energy: -0.038
local terms energy: -67.006021
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -5.770
tors. eta vs tors. theta energy: -11.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -117.343594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.343594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.343594 (E_RNA)
where:
Base-Base interactions energy: -44.382
where: short stacking energy: -44.382
Base-Backbone interact. energy: -0.087
local terms energy: -72.875269
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -13.126
tors. eta vs tors. theta energy: -13.090
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: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -107.080261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.080261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.080261 (E_RNA)
where:
Base-Base interactions energy: -49.489
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.112
local terms energy: -57.478714
where:
bonds (distance) C4'-P energy: -12.680
bonds (distance) P-C4' energy: -12.509
flat angles C4'-P-C4' energy: -10.880
flat angles P-C4'-P energy: -10.295
tors. eta vs tors. theta energy: -11.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -81.456019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.456019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.456019 (E_RNA)
where:
Base-Base interactions energy: -37.249
where: short stacking energy: -27.356
Base-Backbone interact. energy: 0.339
local terms energy: -44.546250
where:
bonds (distance) C4'-P energy: -16.183
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -5.919
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -1.555
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: 10, replica: 10
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -88.473475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473475 (E_RNA)
where:
Base-Base interactions energy: -30.257
where: short stacking energy: -28.752
Base-Backbone interact. energy: -0.150
local terms energy: -58.067024
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -9.974
tors. eta vs tors. theta energy: -6.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -255.185904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.185904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.185904 (E_RNA)
where:
Base-Base interactions energy: -175.921
where: short stacking energy: -67.617
Base-Backbone interact. energy: -0.790
local terms energy: -78.475059
where:
bonds (distance) C4'-P energy: -16.703
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -17.323
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -14.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -242.630461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.630461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.630461 (E_RNA)
where:
Base-Base interactions energy: -158.884
where: short stacking energy: -72.117
Base-Backbone interact. energy: -0.398
local terms energy: -83.348813
where:
bonds (distance) C4'-P energy: -15.491
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -236.389841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.389841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.389841 (E_RNA)
where:
Base-Base interactions energy: -169.462
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.302
local terms energy: -66.625731
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -14.326
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -8.314
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: 4, replica: 9
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -227.024936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.024936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.024936 (E_RNA)
where:
Base-Base interactions energy: -152.695
where: short stacking energy: -62.648
Base-Backbone interact. energy: -1.629
local terms energy: -72.700693
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -12.052
tors. eta vs tors. theta energy: -17.634
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: 229
Temperature: 1.100000
Total energy: -218.359963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.359963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.359963 (E_RNA)
where:
Base-Base interactions energy: -151.785
where: short stacking energy: -63.120
Base-Backbone interact. energy: 0.178
local terms energy: -66.753415
where:
bonds (distance) C4'-P energy: -14.569
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -7.951
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: 6, replica: 3
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -108.819530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.819530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.819530 (E_RNA)
where:
Base-Base interactions energy: -45.030
where: short stacking energy: -33.313
Base-Backbone interact. energy: -0.269
local terms energy: -63.520602
where:
bonds (distance) C4'-P energy: -14.107
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -7.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -143.026942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.026942 (E_RNA)
where:
Base-Base interactions energy: -76.510
where: short stacking energy: -43.065
Base-Backbone interact. energy: -0.231
local terms energy: -66.285659
where:
bonds (distance) C4'-P energy: -13.508
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -15.831
flat angles P-C4'-P energy: -12.775
tors. eta vs tors. theta energy: -6.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -98.293985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.293985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.293985 (E_RNA)
where:
Base-Base interactions energy: -51.268
where: short stacking energy: -26.316
Base-Backbone interact. energy: -0.358
local terms energy: -46.668066
where:
bonds (distance) C4'-P energy: -9.413
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -6.245
tors. eta vs tors. theta energy: -3.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -83.304433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.304433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.304433 (E_RNA)
where:
Base-Base interactions energy: -31.505
where: short stacking energy: -31.505
Base-Backbone interact. energy: 0.135
local terms energy: -51.934501
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -17.778
flat angles C4'-P-C4' energy: -10.166
flat angles P-C4'-P energy: -7.460
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -94.039994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.039994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.039994 (E_RNA)
where:
Base-Base interactions energy: -34.002
where: short stacking energy: -27.852
Base-Backbone interact. energy: -0.055
local terms energy: -59.983203
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -10.121
tors. eta vs tors. theta energy: 0.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -256.191598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.191598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.191598 (E_RNA)
where:
Base-Base interactions energy: -177.303
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.191
local terms energy: -78.697462
where:
bonds (distance) C4'-P energy: -14.438
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -9.996
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: 2, replica: 2
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -252.176324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.176324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.176324 (E_RNA)
where:
Base-Base interactions energy: -170.727
where: short stacking energy: -67.908
Base-Backbone interact. energy: -0.172
local terms energy: -81.277282
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -11.467
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: 3, replica: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -217.220654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.220654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.220654 (E_RNA)
where:
Base-Base interactions energy: -144.886
where: short stacking energy: -65.747
Base-Backbone interact. energy: -0.390
local terms energy: -71.944802
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -13.510
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -14.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -223.573612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.573612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.573612 (E_RNA)
where:
Base-Base interactions energy: -145.533
where: short stacking energy: -67.995
Base-Backbone interact. energy: -0.215
local terms energy: -77.825451
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -11.276
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: 5, replica: 4
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -220.472877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.472877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.472877 (E_RNA)
where:
Base-Base interactions energy: -156.485
where: short stacking energy: -52.583
Base-Backbone interact. energy: -0.948
local terms energy: -63.039910
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -8.341
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: 6, replica: 3
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -141.141806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.141806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.141806 (E_RNA)
where:
Base-Base interactions energy: -75.338
where: short stacking energy: -53.040
Base-Backbone interact. energy: -0.396
local terms energy: -65.407864
where:
bonds (distance) C4'-P energy: -15.077
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -14.609
flat angles P-C4'-P energy: -10.117
tors. eta vs tors. theta energy: -10.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -114.436771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.436771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.436771 (E_RNA)
where:
Base-Base interactions energy: -49.435
where: short stacking energy: -33.056
Base-Backbone interact. energy: -0.263
local terms energy: -64.738505
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -5.763
tors. eta vs tors. theta energy: -11.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -143.891067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.891067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.891067 (E_RNA)
where:
Base-Base interactions energy: -83.122
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.058
local terms energy: -60.710977
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -16.474
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -7.876
tors. eta vs tors. theta energy: -6.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -85.058787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.058787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.058787 (E_RNA)
where:
Base-Base interactions energy: -30.229
where: short stacking energy: -28.960
Base-Backbone interact. energy: -0.194
local terms energy: -54.636339
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -86.352228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.352228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.352228 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.191
local terms energy: -51.148025
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -9.465
flat angles C4'-P-C4' energy: -13.457
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -1.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -246.110591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.110591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.110591 (E_RNA)
where:
Base-Base interactions energy: -173.211
where: short stacking energy: -74.386
Base-Backbone interact. energy: 1.454
local terms energy: -74.353170
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.300
flat angles C4'-P-C4' energy: -16.470
flat angles P-C4'-P energy: -8.965
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: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -238.397254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.397254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.397254 (E_RNA)
where:
Base-Base interactions energy: -170.675
where: short stacking energy: -69.817
Base-Backbone interact. energy: 1.558
local terms energy: -69.280283
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -6.805
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: 3, replica: 2
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -243.949357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.949357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.949357 (E_RNA)
where:
Base-Base interactions energy: -174.038
where: short stacking energy: -68.152
Base-Backbone interact. energy: 2.338
local terms energy: -72.249775
where:
bonds (distance) C4'-P energy: -13.445
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -19.086
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -16.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -236.167335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.167335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.167335 (E_RNA)
where:
Base-Base interactions energy: -159.492
where: short stacking energy: -61.977
Base-Backbone interact. energy: -0.250
local terms energy: -76.425342
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -15.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -241.992415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.992415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.992415 (E_RNA)
where:
Base-Base interactions energy: -165.226
where: short stacking energy: -78.991
Base-Backbone interact. energy: -0.299
local terms energy: -76.467559
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -7.573
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: 6, replica: 8
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -97.870073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.870073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.870073 (E_RNA)
where:
Base-Base interactions energy: -40.551
where: short stacking energy: -32.987
Base-Backbone interact. energy: -1.280
local terms energy: -56.038579
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -14.450
flat angles C4'-P-C4' energy: -11.531
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -3.024
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: 3
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -114.350951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.350951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.350951 (E_RNA)
where:
Base-Base interactions energy: -57.814
where: short stacking energy: -46.333
Base-Backbone interact. energy: 0.074
local terms energy: -56.610966
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -7.252
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: 10
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -97.587986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.587986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.587986 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -31.290
Base-Backbone interact. energy: -0.197
local terms energy: -63.498729
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -7.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -83.603572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.603572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.603572 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -28.681
Base-Backbone interact. energy: -0.135
local terms energy: -54.787731
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -5.544
tors. eta vs tors. theta energy: -0.969
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: 7
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -76.481299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.481299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.481299 (E_RNA)
where:
Base-Base interactions energy: -29.974
where: short stacking energy: -18.851
Base-Backbone interact. energy: -0.329
local terms energy: -46.178063
where:
bonds (distance) C4'-P energy: -12.300
bonds (distance) P-C4' energy: -12.614
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: 5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -240.204055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.204055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.204055 (E_RNA)
where:
Base-Base interactions energy: -157.529
where: short stacking energy: -61.353
Base-Backbone interact. energy: 2.314
local terms energy: -84.989052
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -18.790
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -19.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -242.064289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.064289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.064289 (E_RNA)
where:
Base-Base interactions energy: -166.901
where: short stacking energy: -68.039
Base-Backbone interact. energy: -0.034
local terms energy: -75.128937
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -20.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -234.904481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.904481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.904481 (E_RNA)
where:
Base-Base interactions energy: -165.154
where: short stacking energy: -61.334
Base-Backbone interact. energy: 1.439
local terms energy: -71.190011
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -12.490
flat angles C4'-P-C4' energy: -12.123
flat angles P-C4'-P energy: -12.885
tors. eta vs tors. theta energy: -16.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -231.755780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.755780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.755780 (E_RNA)
where:
Base-Base interactions energy: -159.175
where: short stacking energy: -77.607
Base-Backbone interact. energy: -0.138
local terms energy: -72.442272
where:
bonds (distance) C4'-P energy: -11.227
bonds (distance) P-C4' energy: -13.328
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -232.612219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.612219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.612219 (E_RNA)
where:
Base-Base interactions energy: -161.477
where: short stacking energy: -66.804
Base-Backbone interact. energy: -0.119
local terms energy: -71.016047
where:
bonds (distance) C4'-P energy: -10.345
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -15.423
flat angles P-C4'-P energy: -14.805
tors. eta vs tors. theta energy: -12.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -123.833014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.833014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.833014 (E_RNA)
where:
Base-Base interactions energy: -58.928
where: short stacking energy: -37.547
Base-Backbone interact. energy: -0.064
local terms energy: -64.840720
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -8.339
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: 10
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -90.805107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.805107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.805107 (E_RNA)
where:
Base-Base interactions energy: -38.724
where: short stacking energy: -35.049
Base-Backbone interact. energy: -0.342
local terms energy: -51.739425
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -11.876
flat angles C4'-P-C4' energy: -6.363
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -6.158
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: 232
Temperature: 1.250000
Total energy: -100.093872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.093872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.093872 (E_RNA)
where:
Base-Base interactions energy: -43.258
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.563
local terms energy: -56.273304
where:
bonds (distance) C4'-P energy: -12.578
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -5.202
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -89.867089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.867089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.867089 (E_RNA)
where:
Base-Base interactions energy: -39.554
where: short stacking energy: -36.213
Base-Backbone interact. energy: 0.056
local terms energy: -50.368831
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -11.593
flat angles C4'-P-C4' energy: -13.317
flat angles P-C4'-P energy: -4.674
tors. eta vs tors. theta energy: -7.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -81.308431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.308431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.308431 (E_RNA)
where:
Base-Base interactions energy: -48.323
where: short stacking energy: -15.458
Base-Backbone interact. energy: -0.575
local terms energy: -32.411179
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -9.525
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -5.914
tors. eta vs tors. theta energy: 5.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -240.805144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.805144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.805144 (E_RNA)
where:
Base-Base interactions energy: -162.595
where: short stacking energy: -69.385
Base-Backbone interact. energy: -0.407
local terms energy: -77.803132
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -18.730
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -244.737271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.737271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.737271 (E_RNA)
where:
Base-Base interactions energy: -180.330
where: short stacking energy: -69.946
Base-Backbone interact. energy: 0.140
local terms energy: -64.547747
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -10.491
flat angles P-C4'-P energy: -12.927
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: 3, replica: 1
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -236.290849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.290849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.290849 (E_RNA)
where:
Base-Base interactions energy: -154.814
where: short stacking energy: -76.011
Base-Backbone interact. energy: -1.069
local terms energy: -80.408714
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -15.824
flat angles C4'-P-C4' energy: -17.037
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -20.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -230.085636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.085636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.085636 (E_RNA)
where:
Base-Base interactions energy: -161.830
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.310
local terms energy: -67.945506
where:
bonds (distance) C4'-P energy: -11.950
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -13.055
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -13.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -239.800074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.800074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.800074 (E_RNA)
where:
Base-Base interactions energy: -162.588
where: short stacking energy: -68.359
Base-Backbone interact. energy: 0.463
local terms energy: -77.674831
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -14.280
flat angles C4'-P-C4' energy: -16.889
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -17.817
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: 10
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -108.331344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.331344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.331344 (E_RNA)
where:
Base-Base interactions energy: -46.624
where: short stacking energy: -42.396
Base-Backbone interact. energy: -0.020
local terms energy: -61.687608
where:
bonds (distance) C4'-P energy: -8.776
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -91.159364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.159364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.159364 (E_RNA)
where:
Base-Base interactions energy: -32.120
where: short stacking energy: -31.936
Base-Backbone interact. energy: -0.388
local terms energy: -58.650934
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -13.761
flat angles P-C4'-P energy: -6.222
tors. eta vs tors. theta energy: -2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -86.464653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.464653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.464653 (E_RNA)
where:
Base-Base interactions energy: -38.480
where: short stacking energy: -26.772
Base-Backbone interact. energy: -0.446
local terms energy: -47.539335
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -14.805
flat angles P-C4'-P energy: -4.209
tors. eta vs tors. theta energy: -2.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -101.442262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.442262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.442262 (E_RNA)
where:
Base-Base interactions energy: -44.846
where: short stacking energy: -41.218
Base-Backbone interact. energy: -0.119
local terms energy: -56.477164
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -8.984
flat angles P-C4'-P energy: -5.283
tors. eta vs tors. theta energy: -7.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -84.374519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.374519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.374519 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -17.788
Base-Backbone interact. energy: -0.257
local terms energy: -51.555350
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -13.936
flat angles C4'-P-C4' energy: -11.632
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: 4.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -253.534496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.534496 (E_RNA)
where:
Base-Base interactions energy: -184.173
where: short stacking energy: -62.786
Base-Backbone interact. energy: -0.272
local terms energy: -69.090180
where:
bonds (distance) C4'-P energy: -13.590
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -14.689
flat angles P-C4'-P energy: -10.630
tors. eta vs tors. theta energy: -12.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -233.140124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.140124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.140124 (E_RNA)
where:
Base-Base interactions energy: -159.809
where: short stacking energy: -63.176
Base-Backbone interact. energy: 0.215
local terms energy: -73.545624
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -230.390483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.390483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.390483 (E_RNA)
where:
Base-Base interactions energy: -153.661
where: short stacking energy: -61.096
Base-Backbone interact. energy: -0.221
local terms energy: -76.508376
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.011
tors. eta vs tors. theta energy: -14.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -235.488379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.488379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.488379 (E_RNA)
where:
Base-Base interactions energy: -148.987
where: short stacking energy: -73.749
Base-Backbone interact. energy: -0.651
local terms energy: -85.850238
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -15.470
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -22.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -221.951491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.951491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.951491 (E_RNA)
where:
Base-Base interactions energy: -154.716
where: short stacking energy: -56.948
Base-Backbone interact. energy: 0.967
local terms energy: -68.202469
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -11.817
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -11.023
tors. eta vs tors. theta energy: -13.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -104.358357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.358357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.358357 (E_RNA)
where:
Base-Base interactions energy: -39.600
where: short stacking energy: -38.524
Base-Backbone interact. energy: -0.121
local terms energy: -64.636742
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -11.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -114.306199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.306199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.306199 (E_RNA)
where:
Base-Base interactions energy: -61.586
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.205
local terms energy: -52.515549
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -12.139
flat angles C4'-P-C4' energy: -14.816
flat angles P-C4'-P energy: -8.406
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: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -91.058615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.058615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.058615 (E_RNA)
where:
Base-Base interactions energy: -36.273
where: short stacking energy: -36.273
Base-Backbone interact. energy: -0.409
local terms energy: -54.376779
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -16.313
flat angles C4'-P-C4' energy: -12.012
flat angles P-C4'-P energy: -8.121
tors. eta vs tors. theta energy: -6.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -121.511803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.511803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.511803 (E_RNA)
where:
Base-Base interactions energy: -63.803
where: short stacking energy: -41.393
Base-Backbone interact. energy: 0.375
local terms energy: -58.084317
where:
bonds (distance) C4'-P energy: -11.061
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -15.226
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -9.160
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: 3
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -83.174805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.174805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.174805 (E_RNA)
where:
Base-Base interactions energy: -38.246
where: short stacking energy: -27.779
Base-Backbone interact. energy: 0.024
local terms energy: -44.952661
where:
bonds (distance) C4'-P energy: -7.759
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -13.095
flat angles P-C4'-P energy: -3.259
tors. eta vs tors. theta energy: -1.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -263.323517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.323517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.323517 (E_RNA)
where:
Base-Base interactions energy: -187.474
where: short stacking energy: -66.070
Base-Backbone interact. energy: 1.750
local terms energy: -77.599342
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -241.090157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.090157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.090157 (E_RNA)
where:
Base-Base interactions energy: -154.108
where: short stacking energy: -62.141
Base-Backbone interact. energy: -0.748
local terms energy: -86.233807
where:
bonds (distance) C4'-P energy: -19.250
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -16.980
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -19.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -236.289431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.289431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.289431 (E_RNA)
where:
Base-Base interactions energy: -166.086
where: short stacking energy: -65.109
Base-Backbone interact. energy: -0.333
local terms energy: -69.869891
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -16.082
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -13.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -235.186920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.186920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.186920 (E_RNA)
where:
Base-Base interactions energy: -160.457
where: short stacking energy: -67.080
Base-Backbone interact. energy: -0.108
local terms energy: -74.622475
where:
bonds (distance) C4'-P energy: -16.579
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -16.596
flat angles P-C4'-P energy: -7.841
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: 5, replica: 1
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -230.071808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.071808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.071808 (E_RNA)
where:
Base-Base interactions energy: -148.441
where: short stacking energy: -67.363
Base-Backbone interact. energy: -0.772
local terms energy: -80.858473
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -6.832
tors. eta vs tors. theta energy: -22.409
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: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -104.986499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.986499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.986499 (E_RNA)
where:
Base-Base interactions energy: -41.004
where: short stacking energy: -39.747
Base-Backbone interact. energy: -0.018
local terms energy: -63.965201
where:
bonds (distance) C4'-P energy: -10.676
bonds (distance) P-C4' energy: -16.046
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -9.806
tors. eta vs tors. theta energy: -10.581
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: 10
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -97.443438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.443438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.443438 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -28.058
Base-Backbone interact. energy: -0.228
local terms energy: -60.271153
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -7.326
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: 8, replica: 5
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -126.098193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.098193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.098193 (E_RNA)
where:
Base-Base interactions energy: -64.659
where: short stacking energy: -45.571
Base-Backbone interact. energy: 0.146
local terms energy: -61.584463
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -15.106
flat angles P-C4'-P energy: -9.147
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: 9, replica: 8
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -83.816587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816587 (E_RNA)
where:
Base-Base interactions energy: -32.881
where: short stacking energy: -23.001
Base-Backbone interact. energy: -0.052
local terms energy: -50.883471
where:
bonds (distance) C4'-P energy: -14.659
bonds (distance) P-C4' energy: -13.051
flat angles C4'-P-C4' energy: -15.442
flat angles P-C4'-P energy: -3.448
tors. eta vs tors. theta energy: -4.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -80.111797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.111797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.111797 (E_RNA)
where:
Base-Base interactions energy: -37.539
where: short stacking energy: -29.124
Base-Backbone interact. energy: 0.582
local terms energy: -43.155262
where:
bonds (distance) C4'-P energy: -9.323
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -8.424
tors. eta vs tors. theta energy: -1.242
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: 236
Temperature: 0.900000
Total energy: -261.523156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.523156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.523156 (E_RNA)
where:
Base-Base interactions energy: -182.438
where: short stacking energy: -62.330
Base-Backbone interact. energy: 0.549
local terms energy: -79.633325
where:
bonds (distance) C4'-P energy: -18.555
bonds (distance) P-C4' energy: -14.703
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.961
tors. eta vs tors. theta energy: -14.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -247.697857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.697857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.697857 (E_RNA)
where:
Base-Base interactions energy: -161.821
where: short stacking energy: -73.150
Base-Backbone interact. energy: -0.300
local terms energy: -85.576219
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -12.762
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: 3, replica: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -234.889659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.889659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.889659 (E_RNA)
where:
Base-Base interactions energy: -150.719
where: short stacking energy: -69.404
Base-Backbone interact. energy: -1.014
local terms energy: -83.157036
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -18.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -228.560576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.560576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.560576 (E_RNA)
where:
Base-Base interactions energy: -152.470
where: short stacking energy: -61.201
Base-Backbone interact. energy: -0.799
local terms energy: -75.290990
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -12.818
flat angles C4'-P-C4' energy: -15.440
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -18.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -222.322731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.322731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.322731 (E_RNA)
where:
Base-Base interactions energy: -149.275
where: short stacking energy: -69.753
Base-Backbone interact. energy: -0.793
local terms energy: -72.254977
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -20.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -108.429788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.429788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.429788 (E_RNA)
where:
Base-Base interactions energy: -46.422
where: short stacking energy: -35.073
Base-Backbone interact. energy: -0.014
local terms energy: -61.994469
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -15.155
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -11.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -112.225105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.225105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.225105 (E_RNA)
where:
Base-Base interactions energy: -59.855
where: short stacking energy: -30.490
Base-Backbone interact. energy: 0.781
local terms energy: -53.151675
where:
bonds (distance) C4'-P energy: -16.287
bonds (distance) P-C4' energy: -18.293
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: 1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -84.924100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.924100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.924100 (E_RNA)
where:
Base-Base interactions energy: -33.836
where: short stacking energy: -33.836
Base-Backbone interact. energy: 0.068
local terms energy: -51.156046
where:
bonds (distance) C4'-P energy: -8.451
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -11.582
flat angles P-C4'-P energy: -10.503
tors. eta vs tors. theta energy: -6.635
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: 9, replica: 3
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -89.598901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.598901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.598901 (E_RNA)
where:
Base-Base interactions energy: -41.585
where: short stacking energy: -35.449
Base-Backbone interact. energy: 0.819
local terms energy: -48.832765
where:
bonds (distance) C4'-P energy: -10.266
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -13.355
flat angles P-C4'-P energy: -4.379
tors. eta vs tors. theta energy: -7.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -81.639724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.639724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.639724 (E_RNA)
where:
Base-Base interactions energy: -40.468
where: short stacking energy: -37.568
Base-Backbone interact. energy: -0.211
local terms energy: -40.961596
where:
bonds (distance) C4'-P energy: -9.219
bonds (distance) P-C4' energy: -9.423
flat angles C4'-P-C4' energy: -9.017
flat angles P-C4'-P energy: -7.582
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: 1, replica: 4
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -260.127740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.127740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.127740 (E_RNA)
where:
Base-Base interactions energy: -187.042
where: short stacking energy: -61.970
Base-Backbone interact. energy: -0.736
local terms energy: -72.349957
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -14.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -248.485617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.485617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.485617 (E_RNA)
where:
Base-Base interactions energy: -165.281
where: short stacking energy: -69.650
Base-Backbone interact. energy: -0.476
local terms energy: -82.728228
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -18.384
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -11.967
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: 3, replica: 9
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -237.120413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.120413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.120413 (E_RNA)
where:
Base-Base interactions energy: -155.854
where: short stacking energy: -76.223
Base-Backbone interact. energy: -0.343
local terms energy: -80.923599
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -21.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -219.998295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.998295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.998295 (E_RNA)
where:
Base-Base interactions energy: -143.193
where: short stacking energy: -58.481
Base-Backbone interact. energy: -0.003
local terms energy: -76.802694
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -12.747
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -13.332
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: 5, replica: 6
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -224.520260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.520260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.520260 (E_RNA)
where:
Base-Base interactions energy: -149.014
where: short stacking energy: -69.149
Base-Backbone interact. energy: -0.156
local terms energy: -75.350108
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -15.715
flat angles C4'-P-C4' energy: -17.877
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -14.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -108.970561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.970561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.970561 (E_RNA)
where:
Base-Base interactions energy: -40.854
where: short stacking energy: -40.854
Base-Backbone interact. energy: -0.230
local terms energy: -67.886778
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -11.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -112.316202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.316202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.316202 (E_RNA)
where:
Base-Base interactions energy: -55.645
where: short stacking energy: -55.645
Base-Backbone interact. energy: -0.025
local terms energy: -56.647057
where:
bonds (distance) C4'-P energy: -9.199
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -15.304
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -8.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -96.624014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.624014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.624014 (E_RNA)
where:
Base-Base interactions energy: -42.180
where: short stacking energy: -35.547
Base-Backbone interact. energy: -0.150
local terms energy: -54.294513
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -11.882
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -2.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -99.346353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.346353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.346353 (E_RNA)
where:
Base-Base interactions energy: -44.657
where: short stacking energy: -35.527
Base-Backbone interact. energy: -0.081
local terms energy: -54.608701
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -7.788
flat angles P-C4'-P energy: -6.008
tors. eta vs tors. theta energy: -5.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -80.550692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.550692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.550692 (E_RNA)
where:
Base-Base interactions energy: -22.756
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.089
local terms energy: -57.706482
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -10.482
tors. eta vs tors. theta energy: -5.033
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: 2
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -249.501846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.501846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.501846 (E_RNA)
where:
Base-Base interactions energy: -174.793
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.640
local terms energy: -74.068537
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -12.432
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -17.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -248.496347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.496347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.496347 (E_RNA)
where:
Base-Base interactions energy: -173.780
where: short stacking energy: -71.218
Base-Backbone interact. energy: 3.331
local terms energy: -78.047617
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.306
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: 3, replica: 1
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -236.471673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.471673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.471673 (E_RNA)
where:
Base-Base interactions energy: -161.232
where: short stacking energy: -70.040
Base-Backbone interact. energy: -1.633
local terms energy: -73.607343
where:
bonds (distance) C4'-P energy: -12.589
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -9.750
tors. eta vs tors. theta energy: -18.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -244.504413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504413 (E_RNA)
where:
Base-Base interactions energy: -162.672
where: short stacking energy: -70.987
Base-Backbone interact. energy: -0.496
local terms energy: -81.336844
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -21.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -229.402800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.402800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.402800 (E_RNA)
where:
Base-Base interactions energy: -157.888
where: short stacking energy: -68.007
Base-Backbone interact. energy: -0.181
local terms energy: -71.333868
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -17.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -113.245093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.245093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.245093 (E_RNA)
where:
Base-Base interactions energy: -50.422
where: short stacking energy: -45.610
Base-Backbone interact. energy: -0.092
local terms energy: -62.730903
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -10.362
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -10.364
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: 10
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -109.174155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.174155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.174155 (E_RNA)
where:
Base-Base interactions energy: -52.912
where: short stacking energy: -49.203
Base-Backbone interact. energy: 0.397
local terms energy: -56.659246
where:
bonds (distance) C4'-P energy: -10.845
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -9.411
flat angles P-C4'-P energy: -8.742
tors. eta vs tors. theta energy: -13.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -85.522152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.522152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.522152 (E_RNA)
where:
Base-Base interactions energy: -36.845
where: short stacking energy: -30.402
Base-Backbone interact. energy: 0.124
local terms energy: -48.800924
where:
bonds (distance) C4'-P energy: -11.566
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -8.416
flat angles P-C4'-P energy: -8.717
tors. eta vs tors. theta energy: -4.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -80.777218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.777218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.777218 (E_RNA)
where:
Base-Base interactions energy: -29.380
where: short stacking energy: -28.584
Base-Backbone interact. energy: -0.088
local terms energy: -51.308638
where:
bonds (distance) C4'-P energy: -15.498
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -10.516
flat angles P-C4'-P energy: -7.960
tors. eta vs tors. theta energy: -2.248
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: 5
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -86.192982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.192982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.192982 (E_RNA)
where:
Base-Base interactions energy: -21.512
where: short stacking energy: -19.144
Base-Backbone interact. energy: -0.247
local terms energy: -64.433255
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -15.340
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -6.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -242.048418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.048418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.048418 (E_RNA)
where:
Base-Base interactions energy: -159.701
where: short stacking energy: -68.710
Base-Backbone interact. energy: -0.506
local terms energy: -81.840918
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -16.386
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -14.168
tors. eta vs tors. theta energy: -19.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -248.964526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.964526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.964526 (E_RNA)
where:
Base-Base interactions energy: -168.600
where: short stacking energy: -68.971
Base-Backbone interact. energy: -0.340
local terms energy: -80.023878
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -12.874
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: 3, replica: 1
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -242.286579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.286579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.286579 (E_RNA)
where:
Base-Base interactions energy: -163.009
where: short stacking energy: -66.675
Base-Backbone interact. energy: -0.500
local terms energy: -78.777558
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -15.224
flat angles P-C4'-P energy: -11.201
tors. eta vs tors. theta energy: -19.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -233.585504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.585504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.585504 (E_RNA)
where:
Base-Base interactions energy: -156.856
where: short stacking energy: -68.757
Base-Backbone interact. energy: -0.617
local terms energy: -76.112171
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -11.886
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.740
tors. eta vs tors. theta energy: -19.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -218.404819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.404819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.404819 (E_RNA)
where:
Base-Base interactions energy: -157.451
where: short stacking energy: -59.101
Base-Backbone interact. energy: -0.272
local terms energy: -60.681790
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -14.504
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -130.397409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.397409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.397409 (E_RNA)
where:
Base-Base interactions energy: -63.413
where: short stacking energy: -53.832
Base-Backbone interact. energy: -0.023
local terms energy: -66.961464
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -9.154
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -15.791
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: 10
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -93.648254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.648254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.648254 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -36.920
Base-Backbone interact. energy: -0.142
local terms energy: -56.585832
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -13.024
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -7.467
tors. eta vs tors. theta energy: -4.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -106.982714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.982714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.982714 (E_RNA)
where:
Base-Base interactions energy: -46.943
where: short stacking energy: -27.043
Base-Backbone interact. energy: -0.105
local terms energy: -59.934568
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -14.847
flat angles P-C4'-P energy: -13.403
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: 9, replica: 8
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -87.690571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.690571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.690571 (E_RNA)
where:
Base-Base interactions energy: -35.575
where: short stacking energy: -30.414
Base-Backbone interact. energy: -1.056
local terms energy: -51.059897
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -11.640
flat angles C4'-P-C4' energy: -9.982
flat angles P-C4'-P energy: -7.715
tors. eta vs tors. theta energy: -3.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -84.894954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.894954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.894954 (E_RNA)
where:
Base-Base interactions energy: -35.343
where: short stacking energy: -25.635
Base-Backbone interact. energy: -0.232
local terms energy: -49.319260
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -17.742
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -5.869
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: 4
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -250.683383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.683383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.683383 (E_RNA)
where:
Base-Base interactions energy: -166.936
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.171
local terms energy: -83.576900
where:
bonds (distance) C4'-P energy: -16.438
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -19.175
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -18.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -231.992701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.992701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.992701 (E_RNA)
where:
Base-Base interactions energy: -156.216
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.575
local terms energy: -75.201199
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -14.953
flat angles C4'-P-C4' energy: -16.881
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -231.262974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.262974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.262974 (E_RNA)
where:
Base-Base interactions energy: -160.042
where: short stacking energy: -71.945
Base-Backbone interact. energy: -1.489
local terms energy: -69.731707
where:
bonds (distance) C4'-P energy: -7.915
bonds (distance) P-C4' energy: -14.241
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -10.161
tors. eta vs tors. theta energy: -22.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -234.713767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.713767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.713767 (E_RNA)
where:
Base-Base interactions energy: -152.217
where: short stacking energy: -67.682
Base-Backbone interact. energy: -1.620
local terms energy: -80.876542
where:
bonds (distance) C4'-P energy: -17.382
bonds (distance) P-C4' energy: -17.373
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -19.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -233.004366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.004366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.004366 (E_RNA)
where:
Base-Base interactions energy: -155.212
where: short stacking energy: -62.422
Base-Backbone interact. energy: -0.985
local terms energy: -76.807127
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -13.486
flat angles C4'-P-C4' energy: -15.905
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -111.813202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.813202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.813202 (E_RNA)
where:
Base-Base interactions energy: -44.036
where: short stacking energy: -41.010
Base-Backbone interact. energy: -0.424
local terms energy: -67.352761
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -18.989
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -10.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -94.215926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.215926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.215926 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -27.053
Base-Backbone interact. energy: -0.703
local terms energy: -50.029527
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -10.335
flat angles P-C4'-P energy: -5.320
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: 8, replica: 10
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -113.390016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.390016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.390016 (E_RNA)
where:
Base-Base interactions energy: -51.624
where: short stacking energy: -43.653
Base-Backbone interact. energy: -0.125
local terms energy: -61.641616
where:
bonds (distance) C4'-P energy: -8.991
bonds (distance) P-C4' energy: -16.069
flat angles C4'-P-C4' energy: -17.168
flat angles P-C4'-P energy: -7.223
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -83.357414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.357414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.357414 (E_RNA)
where:
Base-Base interactions energy: -24.977
where: short stacking energy: -26.134
Base-Backbone interact. energy: -0.213
local terms energy: -58.167892
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -10.469
flat angles P-C4'-P energy: -11.976
tors. eta vs tors. theta energy: -2.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -83.374142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.374142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.374142 (E_RNA)
where:
Base-Base interactions energy: -35.039
where: short stacking energy: -30.920
Base-Backbone interact. energy: 0.481
local terms energy: -48.815778
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -6.454
flat angles P-C4'-P energy: -6.998
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -240.127466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.127466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.127466 (E_RNA)
where:
Base-Base interactions energy: -169.472
where: short stacking energy: -69.603
Base-Backbone interact. energy: -0.421
local terms energy: -70.234815
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.524
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -14.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -242.493236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.493236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.493236 (E_RNA)
where:
Base-Base interactions energy: -159.213
where: short stacking energy: -62.379
Base-Backbone interact. energy: -0.185
local terms energy: -83.094878
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -236.545319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.545319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.545319 (E_RNA)
where:
Base-Base interactions energy: -157.211
where: short stacking energy: -71.000
Base-Backbone interact. energy: -0.367
local terms energy: -78.967611
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -228.388400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.388400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.388400 (E_RNA)
where:
Base-Base interactions energy: -158.251
where: short stacking energy: -59.865
Base-Backbone interact. energy: -0.434
local terms energy: -69.703424
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -12.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -223.467333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.467333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.467333 (E_RNA)
where:
Base-Base interactions energy: -153.756
where: short stacking energy: -69.579
Base-Backbone interact. energy: -0.022
local terms energy: -69.689152
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -13.929
flat angles P-C4'-P energy: -8.884
tors. eta vs tors. theta energy: -14.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -105.957628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.957628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.957628 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -41.024
Base-Backbone interact. energy: 0.891
local terms energy: -64.631607
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -12.265
tors. eta vs tors. theta energy: -8.226
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: 241
Temperature: 1.200000
Total energy: -117.984459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.984459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.984459 (E_RNA)
where:
Base-Base interactions energy: -54.801
where: short stacking energy: -38.373
Base-Backbone interact. energy: -0.367
local terms energy: -62.816917
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -14.338
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -85.671320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.671320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.671320 (E_RNA)
where:
Base-Base interactions energy: -30.744
where: short stacking energy: -28.454
Base-Backbone interact. energy: -0.693
local terms energy: -54.234266
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -11.564
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -4.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -81.722302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.722302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.722302 (E_RNA)
where:
Base-Base interactions energy: -29.476
where: short stacking energy: -24.902
Base-Backbone interact. energy: -1.220
local terms energy: -51.026600
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -10.690
flat angles C4'-P-C4' energy: -8.872
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -2.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -82.223016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.223016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.223016 (E_RNA)
where:
Base-Base interactions energy: -28.141
where: short stacking energy: -25.331
Base-Backbone interact. energy: -0.300
local terms energy: -53.782365
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -14.680
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -8.227
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -238.005049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.005049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.005049 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -66.386
Base-Backbone interact. energy: -0.371
local terms energy: -77.734786
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -11.183
tors. eta vs tors. theta energy: -16.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -246.215212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.215212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.215212 (E_RNA)
where:
Base-Base interactions energy: -159.066
where: short stacking energy: -79.752
Base-Backbone interact. energy: -0.432
local terms energy: -86.716937
where:
bonds (distance) C4'-P energy: -14.492
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -24.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -236.570275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.570275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.570275 (E_RNA)
where:
Base-Base interactions energy: -154.768
where: short stacking energy: -67.161
Base-Backbone interact. energy: -0.280
local terms energy: -81.522709
where:
bonds (distance) C4'-P energy: -17.126
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -12.415
tors. eta vs tors. theta energy: -18.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -233.584438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.584438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.584438 (E_RNA)
where:
Base-Base interactions energy: -160.995
where: short stacking energy: -68.756
Base-Backbone interact. energy: -0.266
local terms energy: -72.323410
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -13.810
flat angles C4'-P-C4' energy: -11.723
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -215.567465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.567465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.567465 (E_RNA)
where:
Base-Base interactions energy: -146.502
where: short stacking energy: -60.503
Base-Backbone interact. energy: 0.193
local terms energy: -69.258334
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -15.502
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -12.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -110.144144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.144144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.144144 (E_RNA)
where:
Base-Base interactions energy: -49.067
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.158
local terms energy: -60.919052
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -15.543
flat angles P-C4'-P energy: -8.631
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -93.189323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.189323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.189323 (E_RNA)
where:
Base-Base interactions energy: -35.396
where: short stacking energy: -33.821
Base-Backbone interact. energy: -0.262
local terms energy: -57.531498
where:
bonds (distance) C4'-P energy: -18.268
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -0.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -93.353228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.353228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.353228 (E_RNA)
where:
Base-Base interactions energy: -36.838
where: short stacking energy: -31.605
Base-Backbone interact. energy: -0.652
local terms energy: -55.863712
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -0.646
tors. eta vs tors. theta energy: -6.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -87.589933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.589933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.589933 (E_RNA)
where:
Base-Base interactions energy: -33.371
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.124
local terms energy: -54.095287
where:
bonds (distance) C4'-P energy: -8.046
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -14.736
flat angles P-C4'-P energy: -8.473
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: 10, replica: 8
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -99.482569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.482569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.482569 (E_RNA)
where:
Base-Base interactions energy: -43.354
where: short stacking energy: -30.521
Base-Backbone interact. energy: -0.004
local terms energy: -56.124679
where:
bonds (distance) C4'-P energy: -8.271
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -5.777
tors. eta vs tors. theta energy: -9.201
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: 4
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -250.204035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.204035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.204035 (E_RNA)
where:
Base-Base interactions energy: -170.275
where: short stacking energy: -73.929
Base-Backbone interact. energy: -0.225
local terms energy: -79.703898
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -16.440
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: 243
Temperature: 0.950000
Total energy: -239.602517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.602517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.602517 (E_RNA)
where:
Base-Base interactions energy: -156.998
where: short stacking energy: -68.718
Base-Backbone interact. energy: -0.112
local terms energy: -82.492267
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -234.057352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.057352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.057352 (E_RNA)
where:
Base-Base interactions energy: -165.879
where: short stacking energy: -67.545
Base-Backbone interact. energy: -0.484
local terms energy: -67.694747
where:
bonds (distance) C4'-P energy: -12.534
bonds (distance) P-C4' energy: -9.554
flat angles C4'-P-C4' energy: -17.348
flat angles P-C4'-P energy: -6.805
tors. eta vs tors. theta energy: -21.453
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: 6
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -215.528171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.528171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.528171 (E_RNA)
where:
Base-Base interactions energy: -146.513
where: short stacking energy: -56.029
Base-Backbone interact. energy: 0.092
local terms energy: -69.106648
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -11.879
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -16.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -224.757122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.757122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.757122 (E_RNA)
where:
Base-Base interactions energy: -150.746
where: short stacking energy: -58.585
Base-Backbone interact. energy: -0.367
local terms energy: -73.644055
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -18.999
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -14.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -112.050539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.050539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.050539 (E_RNA)
where:
Base-Base interactions energy: -51.969
where: short stacking energy: -38.424
Base-Backbone interact. energy: -0.136
local terms energy: -59.945131
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -10.369
flat angles P-C4'-P energy: -14.243
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -118.453299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.453299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.453299 (E_RNA)
where:
Base-Base interactions energy: -62.620
where: short stacking energy: -37.033
Base-Backbone interact. energy: -0.753
local terms energy: -55.079506
where:
bonds (distance) C4'-P energy: -10.900
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -10.107
tors. eta vs tors. theta energy: -5.351
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: 10
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -90.616691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.616691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.616691 (E_RNA)
where:
Base-Base interactions energy: -31.255
where: short stacking energy: -31.955
Base-Backbone interact. energy: 0.663
local terms energy: -60.024573
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -11.720
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -5.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -88.054966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.054966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.054966 (E_RNA)
where:
Base-Base interactions energy: -28.385
where: short stacking energy: -28.385
Base-Backbone interact. energy: -0.186
local terms energy: -59.483785
where:
bonds (distance) C4'-P energy: -13.985
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -7.073
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: 8
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -88.734368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.734368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.734368 (E_RNA)
where:
Base-Base interactions energy: -35.032
where: short stacking energy: -30.235
Base-Backbone interact. energy: 1.138
local terms energy: -54.840855
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -5.938
tors. eta vs tors. theta energy: -3.711
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: 2
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -240.947144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.947144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.947144 (E_RNA)
where:
Base-Base interactions energy: -159.712
where: short stacking energy: -75.616
Base-Backbone interact. energy: 0.602
local terms energy: -81.838102
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -18.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -243.675587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.675587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.675587 (E_RNA)
where:
Base-Base interactions energy: -169.208
where: short stacking energy: -62.602
Base-Backbone interact. energy: -0.432
local terms energy: -74.035976
where:
bonds (distance) C4'-P energy: -14.319
bonds (distance) P-C4' energy: -12.032
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -15.543
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -247.041867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.041867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.041867 (E_RNA)
where:
Base-Base interactions energy: -162.004
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.757
local terms energy: -84.280922
where:
bonds (distance) C4'-P energy: -12.972
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -12.959
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: 4, replica: 6
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -223.361452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.361452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.361452 (E_RNA)
where:
Base-Base interactions energy: -144.855
where: short stacking energy: -66.599
Base-Backbone interact. energy: 0.915
local terms energy: -79.421177
where:
bonds (distance) C4'-P energy: -18.803
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -17.486
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: 244
Temperature: 1.100000
Total energy: -224.737910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.737910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.737910 (E_RNA)
where:
Base-Base interactions energy: -165.119
where: short stacking energy: -58.098
Base-Backbone interact. energy: 0.225
local terms energy: -59.844009
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -17.123
flat angles P-C4'-P energy: -7.986
tors. eta vs tors. theta energy: -11.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -104.933499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.933499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.933499 (E_RNA)
where:
Base-Base interactions energy: -45.524
where: short stacking energy: -30.857
Base-Backbone interact. energy: 0.564
local terms energy: -59.972987
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -16.277
flat angles P-C4'-P energy: -8.511
tors. eta vs tors. theta energy: -3.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -116.872444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.872444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.872444 (E_RNA)
where:
Base-Base interactions energy: -49.052
where: short stacking energy: -44.409
Base-Backbone interact. energy: -0.068
local terms energy: -67.752199
where:
bonds (distance) C4'-P energy: -15.048
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -8.180
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: 3
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -89.039612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.039612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.039612 (E_RNA)
where:
Base-Base interactions energy: -32.447
where: short stacking energy: -31.939
Base-Backbone interact. energy: -0.365
local terms energy: -56.227744
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -14.182
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -5.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -93.783638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.783638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.783638 (E_RNA)
where:
Base-Base interactions energy: -39.833
where: short stacking energy: -39.833
Base-Backbone interact. energy: -0.148
local terms energy: -53.801891
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -6.760
tors. eta vs tors. theta energy: -2.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -91.930035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.930035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.930035 (E_RNA)
where:
Base-Base interactions energy: -33.959
where: short stacking energy: -24.547
Base-Backbone interact. energy: -0.073
local terms energy: -57.897558
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -13.324
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -6.278
tors. eta vs tors. theta energy: -2.336
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: 1, replica: 2
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -246.072091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.072091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.072091 (E_RNA)
where:
Base-Base interactions energy: -168.675
where: short stacking energy: -66.718
Base-Backbone interact. energy: -0.253
local terms energy: -77.143913
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -17.655
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -16.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -240.881222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.881222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.881222 (E_RNA)
where:
Base-Base interactions energy: -158.502
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.044
local terms energy: -82.335255
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -242.635909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.635909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.635909 (E_RNA)
where:
Base-Base interactions energy: -170.545
where: short stacking energy: -61.347
Base-Backbone interact. energy: 0.209
local terms energy: -72.299794
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -12.919
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: 4, replica: 1
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -228.352170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.352170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.352170 (E_RNA)
where:
Base-Base interactions energy: -158.757
where: short stacking energy: -61.992
Base-Backbone interact. energy: -0.169
local terms energy: -69.425990
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -11.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -229.552010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.552010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.552010 (E_RNA)
where:
Base-Base interactions energy: -155.688
where: short stacking energy: -69.070
Base-Backbone interact. energy: 1.774
local terms energy: -75.638334
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -18.005
flat angles P-C4'-P energy: -10.626
tors. eta vs tors. theta energy: -18.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -129.305539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.305539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.305539 (E_RNA)
where:
Base-Base interactions energy: -61.319
where: short stacking energy: -43.183
Base-Backbone interact. energy: -0.057
local terms energy: -67.929530
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -12.693
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -11.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -102.465177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.465177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.465177 (E_RNA)
where:
Base-Base interactions energy: -36.970
where: short stacking energy: -36.970
Base-Backbone interact. energy: -0.045
local terms energy: -65.450101
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -13.270
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -8.034
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: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -90.210747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.210747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.210747 (E_RNA)
where:
Base-Base interactions energy: -33.768
where: short stacking energy: -32.935
Base-Backbone interact. energy: 0.121
local terms energy: -56.563766
where:
bonds (distance) C4'-P energy: -13.504
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.203
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -94.598424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.598424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.598424 (E_RNA)
where:
Base-Base interactions energy: -45.379
where: short stacking energy: -33.492
Base-Backbone interact. energy: 2.555
local terms energy: -51.774500
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -3.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -78.764074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.764074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.764074 (E_RNA)
where:
Base-Base interactions energy: -28.220
where: short stacking energy: -25.306
Base-Backbone interact. energy: -0.247
local terms energy: -50.296875
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -10.937
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.161
tors. eta vs tors. theta energy: -0.659
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: 2
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -239.616760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.616760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.616760 (E_RNA)
where:
Base-Base interactions energy: -159.046
where: short stacking energy: -71.228
Base-Backbone interact. energy: -0.289
local terms energy: -80.281942
where:
bonds (distance) C4'-P energy: -15.072
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -13.607
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -20.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -235.177218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.177218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.177218 (E_RNA)
where:
Base-Base interactions energy: -165.796
where: short stacking energy: -69.701
Base-Backbone interact. energy: -0.400
local terms energy: -68.981129
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.384
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -15.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -233.309957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.309957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.309957 (E_RNA)
where:
Base-Base interactions energy: -157.417
where: short stacking energy: -62.333
Base-Backbone interact. energy: 0.560
local terms energy: -76.453710
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -16.034
flat angles C4'-P-C4' energy: -14.025
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -19.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -239.135438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.135438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.135438 (E_RNA)
where:
Base-Base interactions energy: -168.093
where: short stacking energy: -63.023
Base-Backbone interact. energy: 2.026
local terms energy: -73.068877
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -12.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -230.943871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.943871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.943871 (E_RNA)
where:
Base-Base interactions energy: -156.233
where: short stacking energy: -69.545
Base-Backbone interact. energy: 0.041
local terms energy: -74.751363
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -16.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -120.332660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.332660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.332660 (E_RNA)
where:
Base-Base interactions energy: -70.544
where: short stacking energy: -41.282
Base-Backbone interact. energy: -0.151
local terms energy: -49.637571
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -18.446
flat angles C4'-P-C4' energy: -8.788
flat angles P-C4'-P energy: -1.828
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -98.202608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.202608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.202608 (E_RNA)
where:
Base-Base interactions energy: -38.851
where: short stacking energy: -36.543
Base-Backbone interact. energy: -0.102
local terms energy: -59.249270
where:
bonds (distance) C4'-P energy: -13.701
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -10.551
tors. eta vs tors. theta energy: -6.999
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: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -94.508363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.508363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.508363 (E_RNA)
where:
Base-Base interactions energy: -45.049
where: short stacking energy: -30.750
Base-Backbone interact. energy: -0.220
local terms energy: -49.239025
where:
bonds (distance) C4'-P energy: -9.675
bonds (distance) P-C4' energy: -13.158
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -2.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -93.374948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.374948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.374948 (E_RNA)
where:
Base-Base interactions energy: -42.933
where: short stacking energy: -41.189
Base-Backbone interact. energy: -0.121
local terms energy: -50.321130
where:
bonds (distance) C4'-P energy: -11.657
bonds (distance) P-C4' energy: -11.503
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -7.417
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: 10, replica: 3
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -85.414314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.414314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.414314 (E_RNA)
where:
Base-Base interactions energy: -32.068
where: short stacking energy: -18.926
Base-Backbone interact. energy: -0.353
local terms energy: -52.993256
where:
bonds (distance) C4'-P energy: -11.082
bonds (distance) P-C4' energy: -18.225
flat angles C4'-P-C4' energy: -15.197
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -243.671708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.671708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.671708 (E_RNA)
where:
Base-Base interactions energy: -163.702
where: short stacking energy: -71.796
Base-Backbone interact. energy: -0.776
local terms energy: -79.193498
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -13.939
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: 9
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -234.761383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.761383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.761383 (E_RNA)
where:
Base-Base interactions energy: -153.797
where: short stacking energy: -65.696
Base-Backbone interact. energy: -0.199
local terms energy: -80.765371
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -15.301
flat angles P-C4'-P energy: -11.858
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -233.756016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.756016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.756016 (E_RNA)
where:
Base-Base interactions energy: -163.440
where: short stacking energy: -66.424
Base-Backbone interact. energy: -0.159
local terms energy: -70.157632
where:
bonds (distance) C4'-P energy: -12.068
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -16.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -225.539540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.539540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.539540 (E_RNA)
where:
Base-Base interactions energy: -147.380
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.531
local terms energy: -77.627988
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -14.151
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -223.392968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.392968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.392968 (E_RNA)
where:
Base-Base interactions energy: -150.101
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.104
local terms energy: -73.188046
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -10.135
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: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -113.639132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.639132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.639132 (E_RNA)
where:
Base-Base interactions energy: -48.240
where: short stacking energy: -48.219
Base-Backbone interact. energy: -0.209
local terms energy: -65.189511
where:
bonds (distance) C4'-P energy: -11.795
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -8.677
tors. eta vs tors. theta energy: -13.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -99.137562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.137562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.137562 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -29.120
Base-Backbone interact. energy: 1.407
local terms energy: -66.715859
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.799
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -89.082020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.082020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.082020 (E_RNA)
where:
Base-Base interactions energy: -31.622
where: short stacking energy: -32.322
Base-Backbone interact. energy: -0.287
local terms energy: -57.172752
where:
bonds (distance) C4'-P energy: -10.470
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -7.547
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: 9, replica: 5
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -91.754929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.754929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.754929 (E_RNA)
where:
Base-Base interactions energy: -37.571
where: short stacking energy: -23.112
Base-Backbone interact. energy: -0.260
local terms energy: -53.923666
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -11.975
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -7.326
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: 10, replica: 3
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -73.204218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.204218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.204218 (E_RNA)
where:
Base-Base interactions energy: -34.135
where: short stacking energy: -33.657
Base-Backbone interact. energy: -0.397
local terms energy: -38.671374
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -12.913
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: 0.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -246.814115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.814115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.814115 (E_RNA)
where:
Base-Base interactions energy: -165.453
where: short stacking energy: -70.027
Base-Backbone interact. energy: -0.454
local terms energy: -80.907732
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -17.324
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -19.363
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -236.939417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.939417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.939417 (E_RNA)
where:
Base-Base interactions energy: -154.229
where: short stacking energy: -81.462
Base-Backbone interact. energy: -0.297
local terms energy: -82.413083
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -11.391
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: 6
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -238.172731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.172731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.172731 (E_RNA)
where:
Base-Base interactions energy: -152.314
where: short stacking energy: -68.442
Base-Backbone interact. energy: -0.660
local terms energy: -85.198351
where:
bonds (distance) C4'-P energy: -18.247
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -9.443
tors. eta vs tors. theta energy: -19.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -231.024996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.024996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.024996 (E_RNA)
where:
Base-Base interactions energy: -162.532
where: short stacking energy: -71.094
Base-Backbone interact. energy: 1.114
local terms energy: -69.606484
where:
bonds (distance) C4'-P energy: -11.136
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -12.839
flat angles P-C4'-P energy: -11.093
tors. eta vs tors. theta energy: -18.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -227.648624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.648624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.648624 (E_RNA)
where:
Base-Base interactions energy: -156.424
where: short stacking energy: -60.056
Base-Backbone interact. energy: -0.153
local terms energy: -71.071900
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.535
tors. eta vs tors. theta energy: -11.945
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: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -123.864520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.864520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.864520 (E_RNA)
where:
Base-Base interactions energy: -63.801
where: short stacking energy: -48.991
Base-Backbone interact. energy: -0.053
local terms energy: -60.010198
where:
bonds (distance) C4'-P energy: -13.007
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -11.295
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -11.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -96.986148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.986148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.986148 (E_RNA)
where:
Base-Base interactions energy: -40.345
where: short stacking energy: -26.597
Base-Backbone interact. energy: -0.672
local terms energy: -55.968562
where:
bonds (distance) C4'-P energy: -13.114
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -5.142
tors. eta vs tors. theta energy: -2.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -97.516121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516121 (E_RNA)
where:
Base-Base interactions energy: -33.963
where: short stacking energy: -32.900
Base-Backbone interact. energy: -0.197
local terms energy: -63.355906
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -13.554
flat angles P-C4'-P energy: -9.573
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: 9, replica: 3
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -80.348243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348243 (E_RNA)
where:
Base-Base interactions energy: -26.102
where: short stacking energy: -26.102
Base-Backbone interact. energy: 0.136
local terms energy: -54.382630
where:
bonds (distance) C4'-P energy: -10.000
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -5.248
tors. eta vs tors. theta energy: -7.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -91.302337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.302337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.302337 (E_RNA)
where:
Base-Base interactions energy: -43.667
where: short stacking energy: -32.553
Base-Backbone interact. energy: -0.117
local terms energy: -47.518073
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -14.790
flat angles C4'-P-C4' energy: -11.714
flat angles P-C4'-P energy: -6.199
tors. eta vs tors. theta energy: -3.075
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: 2
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -241.718340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.718340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.718340 (E_RNA)
where:
Base-Base interactions energy: -165.715
where: short stacking energy: -74.386
Base-Backbone interact. energy: 0.137
local terms energy: -76.140404
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -6.502
tors. eta vs tors. theta energy: -23.230
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: 6
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -242.813997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.813997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.813997 (E_RNA)
where:
Base-Base interactions energy: -168.616
where: short stacking energy: -70.176
Base-Backbone interact. energy: -0.211
local terms energy: -73.986963
where:
bonds (distance) C4'-P energy: -13.987
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -15.391
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -229.745997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.745997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.745997 (E_RNA)
where:
Base-Base interactions energy: -147.125
where: short stacking energy: -70.463
Base-Backbone interact. energy: -0.495
local terms energy: -82.126106
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -17.171
flat angles C4'-P-C4' energy: -17.936
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -230.318447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.318447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.318447 (E_RNA)
where:
Base-Base interactions energy: -157.432
where: short stacking energy: -70.117
Base-Backbone interact. energy: 3.906
local terms energy: -76.792262
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -10.890
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.521
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: 4
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -228.629185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.629185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.629185 (E_RNA)
where:
Base-Base interactions energy: -156.677
where: short stacking energy: -69.229
Base-Backbone interact. energy: 1.445
local terms energy: -73.397060
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -15.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -102.394353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.394353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.394353 (E_RNA)
where:
Base-Base interactions energy: -43.846
where: short stacking energy: -38.587
Base-Backbone interact. energy: -0.160
local terms energy: -58.388964
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -8.753
tors. eta vs tors. theta energy: -4.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -112.996944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.996944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.996944 (E_RNA)
where:
Base-Base interactions energy: -46.456
where: short stacking energy: -27.557
Base-Backbone interact. energy: -2.035
local terms energy: -64.506306
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -6.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -108.460061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.460061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.460061 (E_RNA)
where:
Base-Base interactions energy: -52.168
where: short stacking energy: -46.596
Base-Backbone interact. energy: -0.046
local terms energy: -56.245624
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -10.330
flat angles P-C4'-P energy: -7.616
tors. eta vs tors. theta energy: -9.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -97.541273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.541273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.541273 (E_RNA)
where:
Base-Base interactions energy: -39.434
where: short stacking energy: -39.434
Base-Backbone interact. energy: 0.383
local terms energy: -58.490334
where:
bonds (distance) C4'-P energy: -12.060
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -13.497
flat angles P-C4'-P energy: -8.571
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: 10, replica: 5
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -81.816110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.816110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.816110 (E_RNA)
where:
Base-Base interactions energy: -28.373
where: short stacking energy: -26.592
Base-Backbone interact. energy: -0.284
local terms energy: -53.158289
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -7.590
tors. eta vs tors. theta energy: 2.511
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: 1, replica: 6
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -250.989591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.989591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.989591 (E_RNA)
where:
Base-Base interactions energy: -170.279
where: short stacking energy: -72.733
Base-Backbone interact. energy: 0.971
local terms energy: -81.681316
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -15.497
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -18.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -231.133191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.133191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.133191 (E_RNA)
where:
Base-Base interactions energy: -156.695
where: short stacking energy: -67.571
Base-Backbone interact. energy: -0.750
local terms energy: -73.688535
where:
bonds (distance) C4'-P energy: -16.588
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -226.344729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.344729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.344729 (E_RNA)
where:
Base-Base interactions energy: -150.734
where: short stacking energy: -65.100
Base-Backbone interact. energy: -0.196
local terms energy: -75.414160
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -17.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -223.239754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.239754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.239754 (E_RNA)
where:
Base-Base interactions energy: -152.348
where: short stacking energy: -67.344
Base-Backbone interact. energy: -0.140
local terms energy: -70.752037
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -13.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -227.504282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.504282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.504282 (E_RNA)
where:
Base-Base interactions energy: -163.548
where: short stacking energy: -68.156
Base-Backbone interact. energy: -0.912
local terms energy: -63.044476
where:
bonds (distance) C4'-P energy: -11.346
bonds (distance) P-C4' energy: -8.022
flat angles C4'-P-C4' energy: -18.886
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -14.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -93.480098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.480098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.480098 (E_RNA)
where:
Base-Base interactions energy: -33.991
where: short stacking energy: -32.542
Base-Backbone interact. energy: -0.122
local terms energy: -59.367156
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -13.152
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: 3
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -107.823558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.823558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.823558 (E_RNA)
where:
Base-Base interactions energy: -42.549
where: short stacking energy: -41.655
Base-Backbone interact. energy: -0.038
local terms energy: -65.236953
where:
bonds (distance) C4'-P energy: -15.097
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -13.228
flat angles P-C4'-P energy: -10.755
tors. eta vs tors. theta energy: -7.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -88.895910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.895910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.895910 (E_RNA)
where:
Base-Base interactions energy: -39.113
where: short stacking energy: -38.822
Base-Backbone interact. energy: -0.202
local terms energy: -49.581165
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -11.482
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -8.042
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: 9, replica: 5
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -88.909536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.909536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.909536 (E_RNA)
where:
Base-Base interactions energy: -37.628
where: short stacking energy: -26.323
Base-Backbone interact. energy: -0.385
local terms energy: -50.896248
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -12.270
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -11.492
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: 10, replica: 10
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -88.547185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.547185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.547185 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -35.177
Base-Backbone interact. energy: -0.054
local terms energy: -47.271398
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -11.933
flat angles C4'-P-C4' energy: -10.344
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -3.354
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: 6
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -251.819570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.819570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.819570 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -69.033
Base-Backbone interact. energy: -0.414
local terms energy: -78.470564
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -15.889
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: 2
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -241.492557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.492557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.492557 (E_RNA)
where:
Base-Base interactions energy: -165.987
where: short stacking energy: -70.588
Base-Backbone interact. energy: -0.158
local terms energy: -75.347725
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -16.652
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -17.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -238.778702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.778702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.778702 (E_RNA)
where:
Base-Base interactions energy: -156.662
where: short stacking energy: -74.134
Base-Backbone interact. energy: 0.746
local terms energy: -82.862371
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -18.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -225.579314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.579314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.579314 (E_RNA)
where:
Base-Base interactions energy: -151.531
where: short stacking energy: -56.391
Base-Backbone interact. energy: -0.760
local terms energy: -73.288398
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -9.301
tors. eta vs tors. theta energy: -14.626
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: 9
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -231.246700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.246700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.246700 (E_RNA)
where:
Base-Base interactions energy: -160.209
where: short stacking energy: -66.082
Base-Backbone interact. energy: 0.001
local terms energy: -71.037957
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -6.294
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -112.115668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.115668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.115668 (E_RNA)
where:
Base-Base interactions energy: -45.987
where: short stacking energy: -38.038
Base-Backbone interact. energy: -0.128
local terms energy: -66.001086
where:
bonds (distance) C4'-P energy: -18.579
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -8.316
tors. eta vs tors. theta energy: -4.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -88.315493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.315493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.315493 (E_RNA)
where:
Base-Base interactions energy: -37.819
where: short stacking energy: -31.747
Base-Backbone interact. energy: 0.068
local terms energy: -50.564349
where:
bonds (distance) C4'-P energy: -14.232
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -1.333
tors. eta vs tors. theta energy: -1.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -114.993598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.993598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.993598 (E_RNA)
where:
Base-Base interactions energy: -47.301
where: short stacking energy: -47.301
Base-Backbone interact. energy: -0.021
local terms energy: -67.670856
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -14.413
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -10.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -96.208124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.208124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.208124 (E_RNA)
where:
Base-Base interactions energy: -40.411
where: short stacking energy: -38.072
Base-Backbone interact. energy: -0.439
local terms energy: -55.358205
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -12.822
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -80.811921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.811921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.811921 (E_RNA)
where:
Base-Base interactions energy: -30.524
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.080
local terms energy: -50.208528
where:
bonds (distance) C4'-P energy: -9.412
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -5.446
tors. eta vs tors. theta energy: -1.865
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: 1, replica: 6
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -251.539473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.539473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.539473 (E_RNA)
where:
Base-Base interactions energy: -177.896
where: short stacking energy: -64.241
Base-Backbone interact. energy: -0.005
local terms energy: -73.638811
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: -15.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -227.117274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.117274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.117274 (E_RNA)
where:
Base-Base interactions energy: -154.850
where: short stacking energy: -64.153
Base-Backbone interact. energy: 0.744
local terms energy: -73.010846
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -16.359
flat angles P-C4'-P energy: -5.420
tors. eta vs tors. theta energy: -16.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -234.395390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.395390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.395390 (E_RNA)
where:
Base-Base interactions energy: -153.947
where: short stacking energy: -63.731
Base-Backbone interact. energy: -0.972
local terms energy: -79.475733
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -12.029
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -229.297787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.297787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.297787 (E_RNA)
where:
Base-Base interactions energy: -147.591
where: short stacking energy: -61.300
Base-Backbone interact. energy: -0.309
local terms energy: -81.397608
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -19.066
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -15.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -227.987232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.987232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.987232 (E_RNA)
where:
Base-Base interactions energy: -161.487
where: short stacking energy: -59.920
Base-Backbone interact. energy: -0.274
local terms energy: -66.226060
where:
bonds (distance) C4'-P energy: -8.220
bonds (distance) P-C4' energy: -10.974
flat angles C4'-P-C4' energy: -19.538
flat angles P-C4'-P energy: -11.142
tors. eta vs tors. theta energy: -16.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -102.730023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.730023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.730023 (E_RNA)
where:
Base-Base interactions energy: -52.542
where: short stacking energy: -51.418
Base-Backbone interact. energy: -0.127
local terms energy: -50.061260
where:
bonds (distance) C4'-P energy: -13.699
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -7.039
flat angles P-C4'-P energy: -6.985
tors. eta vs tors. theta energy: -6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -92.163846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.163846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.163846 (E_RNA)
where:
Base-Base interactions energy: -37.627
where: short stacking energy: -37.627
Base-Backbone interact. energy: -0.147
local terms energy: -54.389261
where:
bonds (distance) C4'-P energy: -15.271
bonds (distance) P-C4' energy: -11.270
flat angles C4'-P-C4' energy: -14.563
flat angles P-C4'-P energy: -10.775
tors. eta vs tors. theta energy: -2.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -88.211563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.211563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.211563 (E_RNA)
where:
Base-Base interactions energy: -30.665
where: short stacking energy: -24.338
Base-Backbone interact. energy: 0.492
local terms energy: -58.038310
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -18.836
flat angles C4'-P-C4' energy: -10.644
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -90.080079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.080079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.080079 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.301
local terms energy: -57.186692
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.141
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -8.085
tors. eta vs tors. theta energy: -2.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -79.227282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.227282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.227282 (E_RNA)
where:
Base-Base interactions energy: -27.599
where: short stacking energy: -26.565
Base-Backbone interact. energy: 0.311
local terms energy: -51.939114
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -2.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -257.871169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.871169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.871169 (E_RNA)
where:
Base-Base interactions energy: -176.044
where: short stacking energy: -62.870
Base-Backbone interact. energy: -0.234
local terms energy: -81.593470
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.905
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -19.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -242.798879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.798879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.798879 (E_RNA)
where:
Base-Base interactions energy: -162.068
where: short stacking energy: -62.117
Base-Backbone interact. energy: -0.797
local terms energy: -79.933486
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -15.810
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -16.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -234.040448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.040448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.040448 (E_RNA)
where:
Base-Base interactions energy: -153.809
where: short stacking energy: -68.483
Base-Backbone interact. energy: -0.216
local terms energy: -80.015738
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -16.453
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -16.871
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -218.385029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.385029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.385029 (E_RNA)
where:
Base-Base interactions energy: -143.066
where: short stacking energy: -65.748
Base-Backbone interact. energy: -0.479
local terms energy: -74.840435
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -12.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -230.768894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.768894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.768894 (E_RNA)
where:
Base-Base interactions energy: -150.374
where: short stacking energy: -64.094
Base-Backbone interact. energy: 0.639
local terms energy: -81.034028
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -15.558
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.953
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -93.919390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.919390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.919390 (E_RNA)
where:
Base-Base interactions energy: -34.514
where: short stacking energy: -32.435
Base-Backbone interact. energy: 0.753
local terms energy: -60.158700
where:
bonds (distance) C4'-P energy: -14.792
bonds (distance) P-C4' energy: -14.521
flat angles C4'-P-C4' energy: -15.002
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -4.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -109.976476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.976476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.976476 (E_RNA)
where:
Base-Base interactions energy: -48.046
where: short stacking energy: -48.046
Base-Backbone interact. energy: -0.094
local terms energy: -61.835993
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -10.912
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -6.091
tors. eta vs tors. theta energy: -11.692
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: 10
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -88.162759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162759 (E_RNA)
where:
Base-Base interactions energy: -28.665
where: short stacking energy: -20.170
Base-Backbone interact. energy: -1.099
local terms energy: -58.398356
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -15.033
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -2.745
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: 3
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -88.737459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.737459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.737459 (E_RNA)
where:
Base-Base interactions energy: -36.546
where: short stacking energy: -31.682
Base-Backbone interact. energy: 0.994
local terms energy: -53.185123
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -12.570
flat angles P-C4'-P energy: -8.456
tors. eta vs tors. theta energy: -4.981
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: 8
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -75.413904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.413904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.413904 (E_RNA)
where:
Base-Base interactions energy: -28.507
where: short stacking energy: -26.219
Base-Backbone interact. energy: -0.156
local terms energy: -46.751325
where:
bonds (distance) C4'-P energy: -6.423
bonds (distance) P-C4' energy: -13.609
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -1.128
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: 2
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -251.814712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.814712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.814712 (E_RNA)
where:
Base-Base interactions energy: -169.216
where: short stacking energy: -70.305
Base-Backbone interact. energy: -0.954
local terms energy: -81.644410
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -16.354
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: 2, replica: 6
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -248.570837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.570837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.570837 (E_RNA)
where:
Base-Base interactions energy: -166.284
where: short stacking energy: -63.357
Base-Backbone interact. energy: -0.743
local terms energy: -81.543536
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -18.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -244.956035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.956035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.956035 (E_RNA)
where:
Base-Base interactions energy: -162.590
where: short stacking energy: -72.746
Base-Backbone interact. energy: 0.723
local terms energy: -83.088537
where:
bonds (distance) C4'-P energy: -18.157
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -17.287
flat angles P-C4'-P energy: -13.646
tors. eta vs tors. theta energy: -18.854
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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -220.916813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.916813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.916813 (E_RNA)
where:
Base-Base interactions energy: -147.659
where: short stacking energy: -67.324
Base-Backbone interact. energy: -0.534
local terms energy: -72.724455
where:
bonds (distance) C4'-P energy: -10.200
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -220.042905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.042905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.042905 (E_RNA)
where:
Base-Base interactions energy: -147.630
where: short stacking energy: -65.422
Base-Backbone interact. energy: -0.441
local terms energy: -71.972079
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -9.882
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -10.486
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -110.276090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.276090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.276090 (E_RNA)
where:
Base-Base interactions energy: -44.278
where: short stacking energy: -41.496
Base-Backbone interact. energy: -0.138
local terms energy: -65.859574
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -14.555
flat angles P-C4'-P energy: -8.260
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -85.412336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.412336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.412336 (E_RNA)
where:
Base-Base interactions energy: -37.933
where: short stacking energy: -14.990
Base-Backbone interact. energy: -0.274
local terms energy: -47.205285
where:
bonds (distance) C4'-P energy: -9.526
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -0.369
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: 10
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -87.728062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.728062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.728062 (E_RNA)
where:
Base-Base interactions energy: -30.466
where: short stacking energy: -28.671
Base-Backbone interact. energy: -0.082
local terms energy: -57.180129
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -8.555
tors. eta vs tors. theta energy: -3.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -90.180258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.180258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.180258 (E_RNA)
where:
Base-Base interactions energy: -30.587
where: short stacking energy: -30.587
Base-Backbone interact. energy: -0.245
local terms energy: -59.347988
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -6.510
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: 10, replica: 8
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -80.992134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.992134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.992134 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -26.312
Base-Backbone interact. energy: -0.161
local terms energy: -53.551092
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -12.015
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -250.901154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.901154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.901154 (E_RNA)
where:
Base-Base interactions energy: -168.304
where: short stacking energy: -68.365
Base-Backbone interact. energy: -0.855
local terms energy: -81.742144
where:
bonds (distance) C4'-P energy: -17.906
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -19.101
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -13.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -237.225025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.225025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.225025 (E_RNA)
where:
Base-Base interactions energy: -164.719
where: short stacking energy: -63.356
Base-Backbone interact. energy: -0.233
local terms energy: -72.273499
where:
bonds (distance) C4'-P energy: -9.572
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -16.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -248.846097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.846097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.846097 (E_RNA)
where:
Base-Base interactions energy: -177.153
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.204
local terms energy: -71.488936
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -16.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -225.494771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.494771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.494771 (E_RNA)
where:
Base-Base interactions energy: -155.677
where: short stacking energy: -62.631
Base-Backbone interact. energy: -0.282
local terms energy: -69.535961
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -12.690
tors. eta vs tors. theta energy: -11.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -194.012793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.012793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.012793 (E_RNA)
where:
Base-Base interactions energy: -134.312
where: short stacking energy: -49.757
Base-Backbone interact. energy: -0.538
local terms energy: -59.163196
where:
bonds (distance) C4'-P energy: -12.939
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -12.980
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -8.554
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: 7
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -108.884555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.884555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.884555 (E_RNA)
where:
Base-Base interactions energy: -50.746
where: short stacking energy: -39.527
Base-Backbone interact. energy: 0.514
local terms energy: -58.652274
where:
bonds (distance) C4'-P energy: -12.414
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -13.583
flat angles P-C4'-P energy: -13.321
tors. eta vs tors. theta energy: -3.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -103.904408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.904408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.904408 (E_RNA)
where:
Base-Base interactions energy: -42.686
where: short stacking energy: -40.921
Base-Backbone interact. energy: -0.212
local terms energy: -61.006069
where:
bonds (distance) C4'-P energy: -18.239
bonds (distance) P-C4' energy: -16.168
flat angles C4'-P-C4' energy: -14.470
flat angles P-C4'-P energy: -4.138
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: 3
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -95.802592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.802592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.802592 (E_RNA)
where:
Base-Base interactions energy: -36.525
where: short stacking energy: -36.525
Base-Backbone interact. energy: -0.079
local terms energy: -59.198881
where:
bonds (distance) C4'-P energy: -13.594
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -4.507
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: 9, replica: 10
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -122.026880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.026880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.026880 (E_RNA)
where:
Base-Base interactions energy: -67.742
where: short stacking energy: -32.425
Base-Backbone interact. energy: -0.158
local terms energy: -54.127256
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -14.405
flat angles P-C4'-P energy: -5.794
tors. eta vs tors. theta energy: -0.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -86.311655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.311655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.311655 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -29.363
Base-Backbone interact. energy: -0.222
local terms energy: -54.454564
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -6.427
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: 1
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -250.991216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.991216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.991216 (E_RNA)
where:
Base-Base interactions energy: -170.015
where: short stacking energy: -65.344
Base-Backbone interact. energy: 0.488
local terms energy: -81.464460
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -16.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -250.627241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.627241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.627241 (E_RNA)
where:
Base-Base interactions energy: -181.219
where: short stacking energy: -59.731
Base-Backbone interact. energy: 0.000
local terms energy: -69.408113
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.254
flat angles P-C4'-P energy: -9.138
tors. eta vs tors. theta energy: -14.079
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: 4
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -236.266543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.266543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.266543 (E_RNA)
where:
Base-Base interactions energy: -167.591
where: short stacking energy: -66.268
Base-Backbone interact. energy: 0.770
local terms energy: -69.445779
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -10.788
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -16.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -242.206973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.206973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.206973 (E_RNA)
where:
Base-Base interactions energy: -165.169
where: short stacking energy: -68.215
Base-Backbone interact. energy: -0.554
local terms energy: -76.483923
where:
bonds (distance) C4'-P energy: -18.692
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -15.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -221.383827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.383827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.383827 (E_RNA)
where:
Base-Base interactions energy: -149.494
where: short stacking energy: -60.534
Base-Backbone interact. energy: -1.000
local terms energy: -70.889664
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -9.325
tors. eta vs tors. theta energy: -18.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -111.078830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.078830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.078830 (E_RNA)
where:
Base-Base interactions energy: -60.465
where: short stacking energy: -48.656
Base-Backbone interact. energy: -0.143
local terms energy: -50.471053
where:
bonds (distance) C4'-P energy: -10.614
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -1.807
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -108.074598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.074598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.074598 (E_RNA)
where:
Base-Base interactions energy: -44.731
where: short stacking energy: -36.568
Base-Backbone interact. energy: -0.484
local terms energy: -62.859665
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -16.701
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -84.945700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.945700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.945700 (E_RNA)
where:
Base-Base interactions energy: -43.806
where: short stacking energy: -15.201
Base-Backbone interact. energy: -0.354
local terms energy: -40.786122
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -13.548
flat angles P-C4'-P energy: -3.892
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: 9, replica: 8
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -92.032251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.032251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.032251 (E_RNA)
where:
Base-Base interactions energy: -41.015
where: short stacking energy: -39.389
Base-Backbone interact. energy: -0.288
local terms energy: -50.728898
where:
bonds (distance) C4'-P energy: -12.370
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -12.943
flat angles P-C4'-P energy: -5.524
tors. eta vs tors. theta energy: -5.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -84.564465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.564465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.564465 (E_RNA)
where:
Base-Base interactions energy: -28.744
where: short stacking energy: -27.285
Base-Backbone interact. energy: -0.257
local terms energy: -55.563629
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -7.639
tors. eta vs tors. theta energy: -2.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -241.268523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.268523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.268523 (E_RNA)
where:
Base-Base interactions energy: -158.411
where: short stacking energy: -67.365
Base-Backbone interact. energy: -1.555
local terms energy: -81.302974
where:
bonds (distance) C4'-P energy: -17.735
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -13.198
tors. eta vs tors. theta energy: -14.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -247.056602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.056602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.056602 (E_RNA)
where:
Base-Base interactions energy: -165.492
where: short stacking energy: -68.827
Base-Backbone interact. energy: -0.283
local terms energy: -81.281857
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -14.423
tors. eta vs tors. theta energy: -16.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -242.291778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.291778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.291778 (E_RNA)
where:
Base-Base interactions energy: -164.199
where: short stacking energy: -61.681
Base-Backbone interact. energy: -0.318
local terms energy: -77.774230
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -18.081
flat angles P-C4'-P energy: -12.500
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -237.102502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.102502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.102502 (E_RNA)
where:
Base-Base interactions energy: -167.444
where: short stacking energy: -65.091
Base-Backbone interact. energy: -0.816
local terms energy: -68.842782
where:
bonds (distance) C4'-P energy: -16.013
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -6.219
tors. eta vs tors. theta energy: -20.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -225.679395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.679395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.679395 (E_RNA)
where:
Base-Base interactions energy: -151.400
where: short stacking energy: -67.160
Base-Backbone interact. energy: -0.095
local terms energy: -74.184175
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -119.688718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.688718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.688718 (E_RNA)
where:
Base-Base interactions energy: -51.598
where: short stacking energy: -43.593
Base-Backbone interact. energy: -0.141
local terms energy: -67.949383
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -10.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -92.193855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.193855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.193855 (E_RNA)
where:
Base-Base interactions energy: -30.893
where: short stacking energy: -23.323
Base-Backbone interact. energy: 0.767
local terms energy: -62.068231
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -4.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -93.712351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.712351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.712351 (E_RNA)
where:
Base-Base interactions energy: -30.734
where: short stacking energy: -30.021
Base-Backbone interact. energy: -0.045
local terms energy: -62.933305
where:
bonds (distance) C4'-P energy: -16.248
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -5.945
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: 5
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -91.047239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.047239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.047239 (E_RNA)
where:
Base-Base interactions energy: -37.774
where: short stacking energy: -32.978
Base-Backbone interact. energy: -0.567
local terms energy: -52.705670
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -2.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -74.518725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.518725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.518725 (E_RNA)
where:
Base-Base interactions energy: -28.787
where: short stacking energy: -13.729
Base-Backbone interact. energy: 1.035
local terms energy: -46.766487
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -3.774
tors. eta vs tors. theta energy: -1.930
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: 1, replica: 4
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -241.549898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.549898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.549898 (E_RNA)
where:
Base-Base interactions energy: -156.942
where: short stacking energy: -65.918
Base-Backbone interact. energy: -0.762
local terms energy: -83.846153
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -231.207273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.207273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.207273 (E_RNA)
where:
Base-Base interactions energy: -148.219
where: short stacking energy: -71.176
Base-Backbone interact. energy: -0.276
local terms energy: -82.712245
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -15.510
tors. eta vs tors. theta energy: -16.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -242.583572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.583572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.583572 (E_RNA)
where:
Base-Base interactions energy: -163.186
where: short stacking energy: -67.579
Base-Backbone interact. energy: -0.568
local terms energy: -78.830065
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -19.081
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -9.683
tors. eta vs tors. theta energy: -16.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -249.290235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.290235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.290235 (E_RNA)
where:
Base-Base interactions energy: -179.680
where: short stacking energy: -66.462
Base-Backbone interact. energy: -0.834
local terms energy: -68.776423
where:
bonds (distance) C4'-P energy: -12.891
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -16.518
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -14.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -218.330865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.330865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.330865 (E_RNA)
where:
Base-Base interactions energy: -160.076
where: short stacking energy: -63.808
Base-Backbone interact. energy: -0.287
local terms energy: -57.967754
where:
bonds (distance) C4'-P energy: -8.034
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -13.238
flat angles P-C4'-P energy: -7.530
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: 7
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -111.180535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.180535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.180535 (E_RNA)
where:
Base-Base interactions energy: -43.640
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.026
local terms energy: -67.514762
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -8.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -91.432674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.432674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.432674 (E_RNA)
where:
Base-Base interactions energy: -38.028
where: short stacking energy: -25.803
Base-Backbone interact. energy: -0.719
local terms energy: -52.685940
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: 1.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -96.642353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.642353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.642353 (E_RNA)
where:
Base-Base interactions energy: -39.730
where: short stacking energy: -39.730
Base-Backbone interact. energy: 0.245
local terms energy: -57.157280
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -5.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -93.770150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.770150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.770150 (E_RNA)
where:
Base-Base interactions energy: -42.543
where: short stacking energy: -33.561
Base-Backbone interact. energy: -0.412
local terms energy: -50.815262
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -12.174
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -0.489
tors. eta vs tors. theta energy: -4.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -80.452249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.452249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.452249 (E_RNA)
where:
Base-Base interactions energy: -23.596
where: short stacking energy: -16.231
Base-Backbone interact. energy: -0.102
local terms energy: -56.754277
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -243.538777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.538777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.538777 (E_RNA)
where:
Base-Base interactions energy: -162.586
where: short stacking energy: -75.405
Base-Backbone interact. energy: -0.222
local terms energy: -80.730593
where:
bonds (distance) C4'-P energy: -16.816
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -236.361572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.361572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.361572 (E_RNA)
where:
Base-Base interactions energy: -153.341
where: short stacking energy: -66.073
Base-Backbone interact. energy: -0.574
local terms energy: -82.446551
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -234.028815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.028815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.028815 (E_RNA)
where:
Base-Base interactions energy: -159.690
where: short stacking energy: -63.720
Base-Backbone interact. energy: -0.477
local terms energy: -73.861243
where:
bonds (distance) C4'-P energy: -17.396
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -232.942765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.942765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.942765 (E_RNA)
where:
Base-Base interactions energy: -162.554
where: short stacking energy: -60.635
Base-Backbone interact. energy: 1.258
local terms energy: -71.646990
where:
bonds (distance) C4'-P energy: -8.676
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -13.247
tors. eta vs tors. theta energy: -15.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -212.688507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.688507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.688507 (E_RNA)
where:
Base-Base interactions energy: -153.975
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.442
local terms energy: -58.270773
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -9.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -99.303015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.303015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.303015 (E_RNA)
where:
Base-Base interactions energy: -39.038
where: short stacking energy: -24.597
Base-Backbone interact. energy: -0.185
local terms energy: -60.080585
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -2.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -113.702242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.702242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.702242 (E_RNA)
where:
Base-Base interactions energy: -49.630
where: short stacking energy: -32.998
Base-Backbone interact. energy: 0.116
local terms energy: -64.188275
where:
bonds (distance) C4'-P energy: -12.308
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -15.412
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -6.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -99.127619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.127619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.127619 (E_RNA)
where:
Base-Base interactions energy: -45.883
where: short stacking energy: -30.939
Base-Backbone interact. energy: -0.317
local terms energy: -52.927541
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -10.719
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -7.506
tors. eta vs tors. theta energy: -4.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -89.029681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.029681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.029681 (E_RNA)
where:
Base-Base interactions energy: -38.273
where: short stacking energy: -37.341
Base-Backbone interact. energy: 0.567
local terms energy: -51.324179
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -9.662
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -5.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -86.818879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.818879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.818879 (E_RNA)
where:
Base-Base interactions energy: -34.172
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.199
local terms energy: -52.447894
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -9.013
tors. eta vs tors. theta energy: -0.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -250.483532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.483532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.483532 (E_RNA)
where:
Base-Base interactions energy: -162.895
where: short stacking energy: -71.633
Base-Backbone interact. energy: 1.255
local terms energy: -88.843798
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -14.558
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -231.103290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.103290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.103290 (E_RNA)
where:
Base-Base interactions energy: -155.017
where: short stacking energy: -76.821
Base-Backbone interact. energy: -0.324
local terms energy: -75.762696
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -14.172
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -12.300
tors. eta vs tors. theta energy: -17.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -242.944234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.944234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.944234 (E_RNA)
where:
Base-Base interactions energy: -167.775
where: short stacking energy: -63.303
Base-Backbone interact. energy: 1.220
local terms energy: -76.388553
where:
bonds (distance) C4'-P energy: -13.104
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -15.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -229.300167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.300167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.300167 (E_RNA)
where:
Base-Base interactions energy: -152.138
where: short stacking energy: -67.766
Base-Backbone interact. energy: -0.329
local terms energy: -76.833037
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -221.402044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.402044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.402044 (E_RNA)
where:
Base-Base interactions energy: -151.702
where: short stacking energy: -61.373
Base-Backbone interact. energy: -0.385
local terms energy: -69.314390
where:
bonds (distance) C4'-P energy: -16.765
bonds (distance) P-C4' energy: -12.298
flat angles C4'-P-C4' energy: -12.406
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -16.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -117.945597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.945597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.945597 (E_RNA)
where:
Base-Base interactions energy: -47.232
where: short stacking energy: -29.206
Base-Backbone interact. energy: -0.097
local terms energy: -70.616869
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.998
flat angles P-C4'-P energy: -12.734
tors. eta vs tors. theta energy: -8.986
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: 7, replica: 7
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -129.096727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.096727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.096727 (E_RNA)
where:
Base-Base interactions energy: -71.444
where: short stacking energy: -35.119
Base-Backbone interact. energy: -0.495
local terms energy: -57.157970
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -15.382
flat angles P-C4'-P energy: -6.941
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: 5
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -93.976712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.976712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.976712 (E_RNA)
where:
Base-Base interactions energy: -34.295
where: short stacking energy: -26.145
Base-Backbone interact. energy: -0.085
local terms energy: -59.597259
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -15.652
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -0.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -82.322703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.322703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.322703 (E_RNA)
where:
Base-Base interactions energy: -36.136
where: short stacking energy: -31.453
Base-Backbone interact. energy: -0.113
local terms energy: -46.074224
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -7.416
flat angles P-C4'-P energy: -6.251
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: 10, replica: 10
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -74.762149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.762149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.762149 (E_RNA)
where:
Base-Base interactions energy: -25.436
where: short stacking energy: -23.947
Base-Backbone interact. energy: -0.139
local terms energy: -49.186655
where:
bonds (distance) C4'-P energy: -16.510
bonds (distance) P-C4' energy: -12.466
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -7.740
tors. eta vs tors. theta energy: -0.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -246.016702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.016702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.016702 (E_RNA)
where:
Base-Base interactions energy: -170.449
where: short stacking energy: -70.927
Base-Backbone interact. energy: -0.523
local terms energy: -75.043951
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -11.708
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: 2, replica: 2
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -245.862014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.862014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.862014 (E_RNA)
where:
Base-Base interactions energy: -168.062
where: short stacking energy: -64.669
Base-Backbone interact. energy: -0.156
local terms energy: -77.644389
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -12.769
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: 3, replica: 4
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -238.343808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.343808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.343808 (E_RNA)
where:
Base-Base interactions energy: -162.011
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.165
local terms energy: -76.167943
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -17.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -231.617299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.617299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.617299 (E_RNA)
where:
Base-Base interactions energy: -158.895
where: short stacking energy: -63.309
Base-Backbone interact. energy: -0.107
local terms energy: -72.615046
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -13.029
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: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -219.521107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.521107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.521107 (E_RNA)
where:
Base-Base interactions energy: -145.805
where: short stacking energy: -68.093
Base-Backbone interact. energy: -0.075
local terms energy: -73.641047
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -111.253904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.253904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.253904 (E_RNA)
where:
Base-Base interactions energy: -48.325
where: short stacking energy: -47.732
Base-Backbone interact. energy: -0.073
local terms energy: -62.855635
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -13.495
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -7.426
tors. eta vs tors. theta energy: -11.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -100.300054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.300054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.300054 (E_RNA)
where:
Base-Base interactions energy: -40.701
where: short stacking energy: -35.527
Base-Backbone interact. energy: -1.352
local terms energy: -58.247003
where:
bonds (distance) C4'-P energy: -11.691
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -8.023
tors. eta vs tors. theta energy: -4.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -86.183760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.183760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.183760 (E_RNA)
where:
Base-Base interactions energy: -37.260
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.506
local terms energy: -48.417864
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -16.141
flat angles P-C4'-P energy: -4.821
tors. eta vs tors. theta energy: 1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -84.864150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.864150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.864150 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -31.449
Base-Backbone interact. energy: -0.383
local terms energy: -53.047548
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -6.039
tors. eta vs tors. theta energy: -4.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -75.762529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.762529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.762529 (E_RNA)
where:
Base-Base interactions energy: -23.125
where: short stacking energy: -23.125
Base-Backbone interact. energy: 0.052
local terms energy: -52.690114
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -6.283
tors. eta vs tors. theta energy: -3.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -238.314462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.314462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.314462 (E_RNA)
where:
Base-Base interactions energy: -165.617
where: short stacking energy: -74.495
Base-Backbone interact. energy: 2.119
local terms energy: -74.816290
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -13.212
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -18.948
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: 2
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -246.392621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.392621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.392621 (E_RNA)
where:
Base-Base interactions energy: -171.433
where: short stacking energy: -66.416
Base-Backbone interact. energy: -0.226
local terms energy: -74.733718
where:
bonds (distance) C4'-P energy: -14.692
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -18.585
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -14.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -240.630651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.630651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.630651 (E_RNA)
where:
Base-Base interactions energy: -163.081
where: short stacking energy: -73.752
Base-Backbone interact. energy: 1.178
local terms energy: -78.727818
where:
bonds (distance) C4'-P energy: -13.471
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -12.733
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: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -239.165812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.165812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.165812 (E_RNA)
where:
Base-Base interactions energy: -160.810
where: short stacking energy: -65.234
Base-Backbone interact. energy: -0.249
local terms energy: -78.107459
where:
bonds (distance) C4'-P energy: -12.454
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -16.706
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: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -221.716763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.716763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.716763 (E_RNA)
where:
Base-Base interactions energy: -150.356
where: short stacking energy: -71.319
Base-Backbone interact. energy: -0.263
local terms energy: -71.097819
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -10.589
flat angles P-C4'-P energy: -11.246
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: 7
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -101.855300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.855300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.855300 (E_RNA)
where:
Base-Base interactions energy: -41.323
where: short stacking energy: -35.146
Base-Backbone interact. energy: -0.101
local terms energy: -60.431875
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -6.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -105.302246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.302246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.302246 (E_RNA)
where:
Base-Base interactions energy: -42.907
where: short stacking energy: -40.327
Base-Backbone interact. energy: -0.962
local terms energy: -61.433825
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -5.669
tors. eta vs tors. theta energy: -9.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -86.440148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.440148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.440148 (E_RNA)
where:
Base-Base interactions energy: -25.836
where: short stacking energy: -17.413
Base-Backbone interact. energy: -1.152
local terms energy: -59.452362
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -19.683
flat angles C4'-P-C4' energy: -12.511
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -1.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -81.899265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.899265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.899265 (E_RNA)
where:
Base-Base interactions energy: -33.008
where: short stacking energy: -32.714
Base-Backbone interact. energy: -0.018
local terms energy: -48.873192
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -11.939
flat angles P-C4'-P energy: -5.300
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: 10, replica: 5
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -83.902510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.902510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.902510 (E_RNA)
where:
Base-Base interactions energy: -27.016
where: short stacking energy: -24.826
Base-Backbone interact. energy: -0.092
local terms energy: -56.795328
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -15.195
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -5.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -243.387803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.387803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.387803 (E_RNA)
where:
Base-Base interactions energy: -165.701
where: short stacking energy: -69.906
Base-Backbone interact. energy: -0.635
local terms energy: -77.051642
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -17.058
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.403
tors. eta vs tors. theta energy: -16.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -239.041874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.041874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.041874 (E_RNA)
where:
Base-Base interactions energy: -153.405
where: short stacking energy: -65.034
Base-Backbone interact. energy: -0.395
local terms energy: -85.241930
where:
bonds (distance) C4'-P energy: -15.571
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -236.535405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535405 (E_RNA)
where:
Base-Base interactions energy: -164.277
where: short stacking energy: -63.534
Base-Backbone interact. energy: -0.591
local terms energy: -71.667624
where:
bonds (distance) C4'-P energy: -7.576
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -13.051
tors. eta vs tors. theta energy: -14.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -236.061520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.061520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.061520 (E_RNA)
where:
Base-Base interactions energy: -167.777
where: short stacking energy: -64.103
Base-Backbone interact. energy: -1.292
local terms energy: -66.992138
where:
bonds (distance) C4'-P energy: -10.135
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -18.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -226.833591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.833591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.833591 (E_RNA)
where:
Base-Base interactions energy: -157.253
where: short stacking energy: -65.157
Base-Backbone interact. energy: -0.488
local terms energy: -69.091645
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.429
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: 3
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -98.734527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.734527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.734527 (E_RNA)
where:
Base-Base interactions energy: -36.984
where: short stacking energy: -35.600
Base-Backbone interact. energy: -0.402
local terms energy: -61.349230
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -17.416
flat angles C4'-P-C4' energy: -12.640
flat angles P-C4'-P energy: -12.980
tors. eta vs tors. theta energy: -5.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -105.648615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.648615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.648615 (E_RNA)
where:
Base-Base interactions energy: -55.677
where: short stacking energy: -35.838
Base-Backbone interact. energy: -0.156
local terms energy: -49.815905
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -14.498
flat angles P-C4'-P energy: -9.179
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: 8, replica: 10
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -97.895053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.895053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.895053 (E_RNA)
where:
Base-Base interactions energy: -31.850
where: short stacking energy: -21.321
Base-Backbone interact. energy: 0.282
local terms energy: -66.327327
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -4.678
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: 8
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -86.650533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.650533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.650533 (E_RNA)
where:
Base-Base interactions energy: -44.090
where: short stacking energy: -40.307
Base-Backbone interact. energy: -0.109
local terms energy: -42.451301
where:
bonds (distance) C4'-P energy: -12.402
bonds (distance) P-C4' energy: -13.533
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: 2.433
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -81.247050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.247050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.247050 (E_RNA)
where:
Base-Base interactions energy: -38.193
where: short stacking energy: -27.203
Base-Backbone interact. energy: -0.031
local terms energy: -43.023360
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -11.911
flat angles P-C4'-P energy: -5.181
tors. eta vs tors. theta energy: 3.746
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: 1, replica: 6
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -242.735746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.735746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.735746 (E_RNA)
where:
Base-Base interactions energy: -153.647
where: short stacking energy: -71.787
Base-Backbone interact. energy: -1.032
local terms energy: -88.057593
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -231.919709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.919709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.919709 (E_RNA)
where:
Base-Base interactions energy: -154.544
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.135
local terms energy: -77.240686
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -16.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -239.876404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.876404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.876404 (E_RNA)
where:
Base-Base interactions energy: -163.438
where: short stacking energy: -67.009
Base-Backbone interact. energy: -0.175
local terms energy: -76.263242
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -12.191
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: 4, replica: 9
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -234.176278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.176278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.176278 (E_RNA)
where:
Base-Base interactions energy: -161.030
where: short stacking energy: -68.165
Base-Backbone interact. energy: -0.470
local terms energy: -72.676852
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -10.651
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -13.243
tors. eta vs tors. theta energy: -16.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -210.208346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.208346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.208346 (E_RNA)
where:
Base-Base interactions energy: -138.299
where: short stacking energy: -57.522
Base-Backbone interact. energy: -2.040
local terms energy: -69.869099
where:
bonds (distance) C4'-P energy: -10.657
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -13.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -123.106873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.106873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.106873 (E_RNA)
where:
Base-Base interactions energy: -70.864
where: short stacking energy: -45.766
Base-Backbone interact. energy: -0.279
local terms energy: -51.963953
where:
bonds (distance) C4'-P energy: -12.223
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -4.462
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: 7, replica: 10
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -99.343446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.343446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.343446 (E_RNA)
where:
Base-Base interactions energy: -42.233
where: short stacking energy: -40.942
Base-Backbone interact. energy: -0.010
local terms energy: -57.100438
where:
bonds (distance) C4'-P energy: -10.205
bonds (distance) P-C4' energy: -14.358
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -7.227
tors. eta vs tors. theta energy: -10.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -87.145615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.145615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.145615 (E_RNA)
where:
Base-Base interactions energy: -22.907
where: short stacking energy: -22.907
Base-Backbone interact. energy: -0.204
local terms energy: -64.034446
where:
bonds (distance) C4'-P energy: -17.154
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -4.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -91.584519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.584519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.584519 (E_RNA)
where:
Base-Base interactions energy: -37.603
where: short stacking energy: -32.811
Base-Backbone interact. energy: 0.079
local terms energy: -54.060865
where:
bonds (distance) C4'-P energy: -14.969
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -12.662
flat angles P-C4'-P energy: -3.545
tors. eta vs tors. theta energy: -7.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -119.023072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.023072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.023072 (E_RNA)
where:
Base-Base interactions energy: -66.370
where: short stacking energy: -37.500
Base-Backbone interact. energy: 0.942
local terms energy: -53.594807
where:
bonds (distance) C4'-P energy: -7.605
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -14.064
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -5.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -239.587176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.587176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.587176 (E_RNA)
where:
Base-Base interactions energy: -157.733
where: short stacking energy: -65.892
Base-Backbone interact. energy: -0.361
local terms energy: -81.492488
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.360
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -18.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -246.647973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.647973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.647973 (E_RNA)
where:
Base-Base interactions energy: -162.877
where: short stacking energy: -68.367
Base-Backbone interact. energy: -0.394
local terms energy: -83.377142
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -240.548942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.548942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.548942 (E_RNA)
where:
Base-Base interactions energy: -164.178
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.410
local terms energy: -75.961182
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -8.990
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: 9
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -229.661089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.661089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.661089 (E_RNA)
where:
Base-Base interactions energy: -154.336
where: short stacking energy: -61.240
Base-Backbone interact. energy: -0.943
local terms energy: -74.381965
where:
bonds (distance) C4'-P energy: -14.783
bonds (distance) P-C4' energy: -14.974
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -15.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -218.672753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.672753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.672753 (E_RNA)
where:
Base-Base interactions energy: -150.645
where: short stacking energy: -57.811
Base-Backbone interact. energy: -0.285
local terms energy: -67.743544
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -12.275
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -9.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -106.026893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.026893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.026893 (E_RNA)
where:
Base-Base interactions energy: -46.352
where: short stacking energy: -40.901
Base-Backbone interact. energy: -0.325
local terms energy: -59.349618
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -9.076
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: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -120.507525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.507525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.507525 (E_RNA)
where:
Base-Base interactions energy: -65.259
where: short stacking energy: -31.743
Base-Backbone interact. energy: -0.184
local terms energy: -55.065153
where:
bonds (distance) C4'-P energy: -16.871
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -4.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -94.446989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.446989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.446989 (E_RNA)
where:
Base-Base interactions energy: -35.994
where: short stacking energy: -35.719
Base-Backbone interact. energy: -0.204
local terms energy: -58.249064
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -9.911
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: 7
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -91.208210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.208210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.208210 (E_RNA)
where:
Base-Base interactions energy: -39.618
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.223
local terms energy: -51.368048
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.390
flat angles C4'-P-C4' energy: -12.136
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: 1.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -125.339053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.339053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.339053 (E_RNA)
where:
Base-Base interactions energy: -66.070
where: short stacking energy: -37.309
Base-Backbone interact. energy: -0.036
local terms energy: -59.233061
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -1.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -253.804551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.804551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.804551 (E_RNA)
where:
Base-Base interactions energy: -166.701
where: short stacking energy: -72.833
Base-Backbone interact. energy: -0.163
local terms energy: -86.940274
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.450
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -19.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -234.171999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.171999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.171999 (E_RNA)
where:
Base-Base interactions energy: -164.033
where: short stacking energy: -64.552
Base-Backbone interact. energy: 1.381
local terms energy: -71.520506
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -14.912
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: 9
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -235.199682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.199682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.199682 (E_RNA)
where:
Base-Base interactions energy: -157.100
where: short stacking energy: -65.200
Base-Backbone interact. energy: -0.580
local terms energy: -77.518910
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -20.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -229.014496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.014496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.014496 (E_RNA)
where:
Base-Base interactions energy: -150.789
where: short stacking energy: -69.512
Base-Backbone interact. energy: -0.188
local terms energy: -78.037622
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -14.876
flat angles C4'-P-C4' energy: -15.177
flat angles P-C4'-P energy: -11.243
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: 5, replica: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -226.679184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.679184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.679184 (E_RNA)
where:
Base-Base interactions energy: -152.594
where: short stacking energy: -64.169
Base-Backbone interact. energy: -0.393
local terms energy: -73.692194
where:
bonds (distance) C4'-P energy: -15.254
bonds (distance) P-C4' energy: -14.500
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -17.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -154.364773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.364773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.364773 (E_RNA)
where:
Base-Base interactions energy: -86.720
where: short stacking energy: -44.694
Base-Backbone interact. energy: -0.574
local terms energy: -67.070341
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -14.837
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -13.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -98.044344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.044344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.044344 (E_RNA)
where:
Base-Base interactions energy: -42.928
where: short stacking energy: -34.871
Base-Backbone interact. energy: -0.726
local terms energy: -54.389848
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -12.085
flat angles P-C4'-P energy: -4.851
tors. eta vs tors. theta energy: -7.194
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: 8
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -99.607625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.607625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.607625 (E_RNA)
where:
Base-Base interactions energy: -34.911
where: short stacking energy: -34.240
Base-Backbone interact. energy: -0.255
local terms energy: -64.441941
where:
bonds (distance) C4'-P energy: -12.250
bonds (distance) P-C4' energy: -19.271
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -7.142
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: 5
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -86.244358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.244358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.244358 (E_RNA)
where:
Base-Base interactions energy: -40.631
where: short stacking energy: -36.022
Base-Backbone interact. energy: -0.207
local terms energy: -45.405805
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -11.747
flat angles P-C4'-P energy: -8.298
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: 10, replica: 7
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -84.616897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.616897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.616897 (E_RNA)
where:
Base-Base interactions energy: -42.605
where: short stacking energy: -29.828
Base-Backbone interact. energy: 0.345
local terms energy: -42.356944
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -11.142
flat angles C4'-P-C4' energy: -6.394
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -0.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -254.255052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.255052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.255052 (E_RNA)
where:
Base-Base interactions energy: -169.535
where: short stacking energy: -75.313
Base-Backbone interact. energy: -0.078
local terms energy: -84.641324
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -16.271
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -18.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -240.302881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.302881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.302881 (E_RNA)
where:
Base-Base interactions energy: -162.610
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.460
local terms energy: -77.233229
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -9.668
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -234.538759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.538759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.538759 (E_RNA)
where:
Base-Base interactions energy: -157.619
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.199
local terms energy: -76.720959
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -16.053
tors. eta vs tors. theta energy: -16.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -232.110673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.110673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.110673 (E_RNA)
where:
Base-Base interactions energy: -159.298
where: short stacking energy: -63.858
Base-Backbone interact. energy: -0.395
local terms energy: -72.418050
where:
bonds (distance) C4'-P energy: -17.102
bonds (distance) P-C4' energy: -18.484
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -9.945
tors. eta vs tors. theta energy: -12.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -221.282272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.282272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.282272 (E_RNA)
where:
Base-Base interactions energy: -149.859
where: short stacking energy: -63.711
Base-Backbone interact. energy: -0.358
local terms energy: -71.065110
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.560
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: 6, replica: 10
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -167.729139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.729139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.729139 (E_RNA)
where:
Base-Base interactions energy: -104.924
where: short stacking energy: -41.677
Base-Backbone interact. energy: 0.562
local terms energy: -63.367204
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -13.272
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -13.540
tors. eta vs tors. theta energy: -4.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -118.969271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.969271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.969271 (E_RNA)
where:
Base-Base interactions energy: -60.891
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.480
local terms energy: -57.598394
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -0.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -96.678913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.678913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.678913 (E_RNA)
where:
Base-Base interactions energy: -43.192
where: short stacking energy: -31.972
Base-Backbone interact. energy: -0.486
local terms energy: -53.000324
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -11.476
flat angles P-C4'-P energy: -2.796
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -83.819180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.819180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.819180 (E_RNA)
where:
Base-Base interactions energy: -32.088
where: short stacking energy: -32.088
Base-Backbone interact. energy: 0.967
local terms energy: -52.698235
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -9.651
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: 10, replica: 7
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -87.606566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606566 (E_RNA)
where:
Base-Base interactions energy: -35.519
where: short stacking energy: -25.165
Base-Backbone interact. energy: -0.615
local terms energy: -51.472030
where:
bonds (distance) C4'-P energy: -13.596
bonds (distance) P-C4' energy: -12.887
flat angles C4'-P-C4' energy: -11.190
flat angles P-C4'-P energy: -11.252
tors. eta vs tors. theta energy: -2.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -257.606235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.606235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.606235 (E_RNA)
where:
Base-Base interactions energy: -181.460
where: short stacking energy: -73.233
Base-Backbone interact. energy: -0.134
local terms energy: -76.011954
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -16.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -245.491698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.491698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.491698 (E_RNA)
where:
Base-Base interactions energy: -156.536
where: short stacking energy: -76.300
Base-Backbone interact. energy: -0.705
local terms energy: -88.250547
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.236
tors. eta vs tors. theta energy: -22.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -236.658355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.658355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.658355 (E_RNA)
where:
Base-Base interactions energy: -158.906
where: short stacking energy: -69.656
Base-Backbone interact. energy: 1.129
local terms energy: -78.882102
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: -21.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -232.693701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.693701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.693701 (E_RNA)
where:
Base-Base interactions energy: -164.431
where: short stacking energy: -52.354
Base-Backbone interact. energy: 1.901
local terms energy: -70.163324
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -8.630
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: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -216.256122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.256122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.256122 (E_RNA)
where:
Base-Base interactions energy: -145.677
where: short stacking energy: -66.956
Base-Backbone interact. energy: 0.640
local terms energy: -71.218888
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -11.971
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.668
tors. eta vs tors. theta energy: -16.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -155.547430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.547430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.547430 (E_RNA)
where:
Base-Base interactions energy: -96.520
where: short stacking energy: -47.095
Base-Backbone interact. energy: -0.246
local terms energy: -58.782213
where:
bonds (distance) C4'-P energy: -19.618
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -1.029
tors. eta vs tors. theta energy: -10.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -95.765770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.765770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.765770 (E_RNA)
where:
Base-Base interactions energy: -46.889
where: short stacking energy: -46.174
Base-Backbone interact. energy: -0.343
local terms energy: -48.533287
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -13.174
flat angles C4'-P-C4' energy: -6.367
flat angles P-C4'-P energy: -7.449
tors. eta vs tors. theta energy: -7.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -106.564271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.564271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.564271 (E_RNA)
where:
Base-Base interactions energy: -49.571
where: short stacking energy: -34.189
Base-Backbone interact. energy: -1.145
local terms energy: -55.848222
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -4.445
tors. eta vs tors. theta energy: -4.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -90.198138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.198138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.198138 (E_RNA)
where:
Base-Base interactions energy: -36.269
where: short stacking energy: -24.445
Base-Backbone interact. energy: -0.115
local terms energy: -53.814201
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -3.754
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: 10, replica: 8
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -82.644606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.644606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.644606 (E_RNA)
where:
Base-Base interactions energy: -33.557
where: short stacking energy: -27.256
Base-Backbone interact. energy: 0.451
local terms energy: -49.537812
where:
bonds (distance) C4'-P energy: -10.969
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -7.761
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -3.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -254.006879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.006879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.006879 (E_RNA)
where:
Base-Base interactions energy: -183.340
where: short stacking energy: -75.374
Base-Backbone interact. energy: -0.053
local terms energy: -70.613596
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -11.608
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.156
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: 2, replica: 6
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -246.994520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.994520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.994520 (E_RNA)
where:
Base-Base interactions energy: -168.962
where: short stacking energy: -78.177
Base-Backbone interact. energy: -0.391
local terms energy: -77.641141
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -11.116
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: 9
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -231.319728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.319728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.319728 (E_RNA)
where:
Base-Base interactions energy: -161.770
where: short stacking energy: -71.725
Base-Backbone interact. energy: -0.306
local terms energy: -69.244467
where:
bonds (distance) C4'-P energy: -12.523
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -13.571
flat angles P-C4'-P energy: -8.477
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: 4, replica: 4
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -233.366571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.366571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.366571 (E_RNA)
where:
Base-Base interactions energy: -163.406
where: short stacking energy: -59.243
Base-Backbone interact. energy: -0.772
local terms energy: -69.188326
where:
bonds (distance) C4'-P energy: -14.104
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -11.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -229.805622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.805622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.805622 (E_RNA)
where:
Base-Base interactions energy: -156.736
where: short stacking energy: -71.552
Base-Backbone interact. energy: -1.853
local terms energy: -71.216940
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -13.548
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -20.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -116.519581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.519581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.519581 (E_RNA)
where:
Base-Base interactions energy: -52.475
where: short stacking energy: -52.475
Base-Backbone interact. energy: 1.812
local terms energy: -65.856818
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -12.232
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -8.302
tors. eta vs tors. theta energy: -15.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -110.424372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.424372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.424372 (E_RNA)
where:
Base-Base interactions energy: -49.804
where: short stacking energy: -39.151
Base-Backbone interact. energy: -0.052
local terms energy: -60.568801
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -13.093
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: -6.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -86.716427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.716427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.716427 (E_RNA)
where:
Base-Base interactions energy: -33.108
where: short stacking energy: -29.575
Base-Backbone interact. energy: -0.058
local terms energy: -53.549852
where:
bonds (distance) C4'-P energy: -13.741
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -11.718
flat angles P-C4'-P energy: -5.626
tors. eta vs tors. theta energy: -6.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -113.895989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.895989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.895989 (E_RNA)
where:
Base-Base interactions energy: -54.174
where: short stacking energy: -30.016
Base-Backbone interact. energy: -0.058
local terms energy: -59.663053
where:
bonds (distance) C4'-P energy: -18.253
bonds (distance) P-C4' energy: -12.676
flat angles C4'-P-C4' energy: -12.458
flat angles P-C4'-P energy: -10.524
tors. eta vs tors. theta energy: -5.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -91.631155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.631155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.631155 (E_RNA)
where:
Base-Base interactions energy: -41.262
where: short stacking energy: -39.531
Base-Backbone interact. energy: -0.078
local terms energy: -50.291662
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -12.463
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -247.070999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.070999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.070999 (E_RNA)
where:
Base-Base interactions energy: -167.756
where: short stacking energy: -83.776
Base-Backbone interact. energy: -0.439
local terms energy: -78.876172
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -5.829
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -248.779589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.779589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.779589 (E_RNA)
where:
Base-Base interactions energy: -163.772
where: short stacking energy: -69.103
Base-Backbone interact. energy: -0.477
local terms energy: -84.530470
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -14.092
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -18.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -238.932564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.932564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.932564 (E_RNA)
where:
Base-Base interactions energy: -156.595
where: short stacking energy: -71.091
Base-Backbone interact. energy: 0.487
local terms energy: -82.824580
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -19.435
flat angles P-C4'-P energy: -12.945
tors. eta vs tors. theta energy: -18.195
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: 4
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -243.296085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.296085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.296085 (E_RNA)
where:
Base-Base interactions energy: -166.792
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.604
local terms energy: -75.899873
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -14.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -225.060085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.060085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.060085 (E_RNA)
where:
Base-Base interactions energy: -157.962
where: short stacking energy: -65.950
Base-Backbone interact. energy: -0.342
local terms energy: -66.755867
where:
bonds (distance) C4'-P energy: -13.457
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -12.079
flat angles P-C4'-P energy: -9.780
tors. eta vs tors. theta energy: -19.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -120.000721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.000721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.000721 (E_RNA)
where:
Base-Base interactions energy: -54.172
where: short stacking energy: -45.369
Base-Backbone interact. energy: -0.244
local terms energy: -65.584542
where:
bonds (distance) C4'-P energy: -14.828
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -13.014
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -5.523
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: 10
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -105.518628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.518628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.518628 (E_RNA)
where:
Base-Base interactions energy: -50.730
where: short stacking energy: -38.265
Base-Backbone interact. energy: -0.772
local terms energy: -54.015818
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -10.193
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -7.378
tors. eta vs tors. theta energy: -7.237
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: 7
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -87.664214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.664214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.664214 (E_RNA)
where:
Base-Base interactions energy: -41.772
where: short stacking energy: -41.291
Base-Backbone interact. energy: -0.080
local terms energy: -45.812345
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -11.887
flat angles C4'-P-C4' energy: -9.273
flat angles P-C4'-P energy: -8.869
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: 8
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -89.721964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721964 (E_RNA)
where:
Base-Base interactions energy: -41.083
where: short stacking energy: -27.393
Base-Backbone interact. energy: -0.731
local terms energy: -47.908161
where:
bonds (distance) C4'-P energy: -10.280
bonds (distance) P-C4' energy: -12.872
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -11.809
tors. eta vs tors. theta energy: 1.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -72.314466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.314466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.314466 (E_RNA)
where:
Base-Base interactions energy: -25.604
where: short stacking energy: -25.604
Base-Backbone interact. energy: -0.203
local terms energy: -46.507793
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -10.863
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: 1.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -242.416159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.416159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.416159 (E_RNA)
where:
Base-Base interactions energy: -165.481
where: short stacking energy: -80.685
Base-Backbone interact. energy: -1.251
local terms energy: -75.683828
where:
bonds (distance) C4'-P energy: -10.562
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -238.026097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.026097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.026097 (E_RNA)
where:
Base-Base interactions energy: -161.210
where: short stacking energy: -73.942
Base-Backbone interact. energy: -0.603
local terms energy: -76.212677
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -19.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -244.511902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.511902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.511902 (E_RNA)
where:
Base-Base interactions energy: -164.167
where: short stacking energy: -71.123
Base-Backbone interact. energy: -0.238
local terms energy: -80.107087
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -19.986
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -18.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -234.791259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.791259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.791259 (E_RNA)
where:
Base-Base interactions energy: -159.520
where: short stacking energy: -67.808
Base-Backbone interact. energy: -0.560
local terms energy: -74.711234
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -8.590
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: 4
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -231.885902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.885902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885902 (E_RNA)
where:
Base-Base interactions energy: -159.243
where: short stacking energy: -55.398
Base-Backbone interact. energy: -1.513
local terms energy: -71.129545
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.002
tors. eta vs tors. theta energy: -12.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -112.516198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.516198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.516198 (E_RNA)
where:
Base-Base interactions energy: -48.647
where: short stacking energy: -38.585
Base-Backbone interact. energy: -0.073
local terms energy: -63.796044
where:
bonds (distance) C4'-P energy: -13.520
bonds (distance) P-C4' energy: -12.697
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -9.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -98.296458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.296458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.296458 (E_RNA)
where:
Base-Base interactions energy: -33.063
where: short stacking energy: -32.481
Base-Backbone interact. energy: -0.081
local terms energy: -65.152614
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -6.803
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: 8
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -91.738066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.738066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.738066 (E_RNA)
where:
Base-Base interactions energy: -35.437
where: short stacking energy: -35.437
Base-Backbone interact. energy: -0.109
local terms energy: -56.192347
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -13.125
flat angles C4'-P-C4' energy: -12.598
flat angles P-C4'-P energy: -9.336
tors. eta vs tors. theta energy: -4.885
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: 7
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -111.111540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.111540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.111540 (E_RNA)
where:
Base-Base interactions energy: -51.279
where: short stacking energy: -28.160
Base-Backbone interact. energy: -0.296
local terms energy: -59.536568
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -11.013
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -7.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -79.014860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.014860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.014860 (E_RNA)
where:
Base-Base interactions energy: -35.541
where: short stacking energy: -22.474
Base-Backbone interact. energy: -0.228
local terms energy: -43.245301
where:
bonds (distance) C4'-P energy: -11.852
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -11.785
flat angles P-C4'-P energy: -4.547
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: 1, replica: 6
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -249.341909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.341909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.341909 (E_RNA)
where:
Base-Base interactions energy: -165.434
where: short stacking energy: -81.022
Base-Backbone interact. energy: -0.080
local terms energy: -83.828605
where:
bonds (distance) C4'-P energy: -17.498
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -12.068
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: 9
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -244.504615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.504615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.504615 (E_RNA)
where:
Base-Base interactions energy: -156.166
where: short stacking energy: -71.210
Base-Backbone interact. energy: -0.517
local terms energy: -87.821819
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -21.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -251.889466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.889466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.889466 (E_RNA)
where:
Base-Base interactions energy: -174.323
where: short stacking energy: -73.104
Base-Backbone interact. energy: -0.124
local terms energy: -77.442284
where:
bonds (distance) C4'-P energy: -16.662
bonds (distance) P-C4' energy: -13.151
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -18.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -225.076034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.076034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.076034 (E_RNA)
where:
Base-Base interactions energy: -156.813
where: short stacking energy: -61.188
Base-Backbone interact. energy: 0.258
local terms energy: -68.521359
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -15.098
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -12.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -221.232079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.232079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.232079 (E_RNA)
where:
Base-Base interactions energy: -149.552
where: short stacking energy: -64.321
Base-Backbone interact. energy: -0.340
local terms energy: -71.339733
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -11.292
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: 10
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -113.744925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.744925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.744925 (E_RNA)
where:
Base-Base interactions energy: -51.942
where: short stacking energy: -51.942
Base-Backbone interact. energy: -0.012
local terms energy: -61.790821
where:
bonds (distance) C4'-P energy: -10.088
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -12.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -105.162469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.162469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.162469 (E_RNA)
where:
Base-Base interactions energy: -41.740
where: short stacking energy: -40.238
Base-Backbone interact. energy: -0.077
local terms energy: -63.345585
where:
bonds (distance) C4'-P energy: -14.514
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -13.755
flat angles P-C4'-P energy: -8.959
tors. eta vs tors. theta energy: -9.564
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: 3
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -90.444690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.444690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.444690 (E_RNA)
where:
Base-Base interactions energy: -40.403
where: short stacking energy: -22.029
Base-Backbone interact. energy: 1.233
local terms energy: -51.273890
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.734
flat angles C4'-P-C4' energy: -11.401
flat angles P-C4'-P energy: -8.797
tors. eta vs tors. theta energy: 2.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -89.291202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.291202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.291202 (E_RNA)
where:
Base-Base interactions energy: -37.187
where: short stacking energy: -14.589
Base-Backbone interact. energy: -0.796
local terms energy: -51.307993
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -13.849
flat angles P-C4'-P energy: -8.609
tors. eta vs tors. theta energy: 5.372
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: 7
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -76.834710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.834710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.834710 (E_RNA)
where:
Base-Base interactions energy: -26.871
where: short stacking energy: -19.321
Base-Backbone interact. energy: -0.024
local terms energy: -49.940552
where:
bonds (distance) C4'-P energy: -11.375
bonds (distance) P-C4' energy: -18.100
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: 3.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -242.638780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.638780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.638780 (E_RNA)
where:
Base-Base interactions energy: -163.147
where: short stacking energy: -80.091
Base-Backbone interact. energy: -0.401
local terms energy: -79.091029
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -17.423
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: 273
Temperature: 0.950000
Total energy: -247.972384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.972384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.972384 (E_RNA)
where:
Base-Base interactions energy: -170.688
where: short stacking energy: -72.830
Base-Backbone interact. energy: -0.427
local terms energy: -76.857452
where:
bonds (distance) C4'-P energy: -13.131
bonds (distance) P-C4' energy: -15.492
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -12.910
tors. eta vs tors. theta energy: -18.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -245.431365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.431365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.431365 (E_RNA)
where:
Base-Base interactions energy: -164.622
where: short stacking energy: -74.906
Base-Backbone interact. energy: -0.088
local terms energy: -80.720425
where:
bonds (distance) C4'-P energy: -12.179
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -12.447
tors. eta vs tors. theta energy: -23.369
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: 4
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -234.854413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.854413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.854413 (E_RNA)
where:
Base-Base interactions energy: -167.035
where: short stacking energy: -47.198
Base-Backbone interact. energy: -0.621
local terms energy: -67.198105
where:
bonds (distance) C4'-P energy: -10.150
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -15.355
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -15.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -213.758719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.758719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.758719 (E_RNA)
where:
Base-Base interactions energy: -147.528
where: short stacking energy: -57.539
Base-Backbone interact. energy: -0.600
local terms energy: -65.630817
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -13.112
flat angles C4'-P-C4' energy: -13.536
flat angles P-C4'-P energy: -11.685
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: 10
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -104.724759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.724759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.724759 (E_RNA)
where:
Base-Base interactions energy: -41.511
where: short stacking energy: -36.502
Base-Backbone interact. energy: 0.132
local terms energy: -63.345774
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -14.846
flat angles P-C4'-P energy: -12.692
tors. eta vs tors. theta energy: -6.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -108.656294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.656294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.656294 (E_RNA)
where:
Base-Base interactions energy: -55.805
where: short stacking energy: -42.437
Base-Backbone interact. energy: -0.192
local terms energy: -52.660218
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -12.281
flat angles C4'-P-C4' energy: -13.182
flat angles P-C4'-P energy: -5.789
tors. eta vs tors. theta energy: -8.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -93.006342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.006342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.006342 (E_RNA)
where:
Base-Base interactions energy: -39.846
where: short stacking energy: -28.379
Base-Backbone interact. energy: 0.155
local terms energy: -53.315366
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -15.841
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -4.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -102.334382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.334382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.334382 (E_RNA)
where:
Base-Base interactions energy: -45.981
where: short stacking energy: -36.325
Base-Backbone interact. energy: -0.159
local terms energy: -56.194402
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -11.977
flat angles C4'-P-C4' energy: -14.402
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -89.651668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.651668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.651668 (E_RNA)
where:
Base-Base interactions energy: -28.702
where: short stacking energy: -23.572
Base-Backbone interact. energy: -0.951
local terms energy: -59.999447
where:
bonds (distance) C4'-P energy: -12.692
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -7.316
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: 2
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -239.792255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.792255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.792255 (E_RNA)
where:
Base-Base interactions energy: -166.837
where: short stacking energy: -85.108
Base-Backbone interact. energy: -1.303
local terms energy: -71.653112
where:
bonds (distance) C4'-P energy: -10.846
bonds (distance) P-C4' energy: -13.130
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -19.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -235.859433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.859433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.859433 (E_RNA)
where:
Base-Base interactions energy: -149.946
where: short stacking energy: -65.790
Base-Backbone interact. energy: -0.320
local terms energy: -85.593981
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -18.562
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -19.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -238.730294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.730294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.730294 (E_RNA)
where:
Base-Base interactions energy: -156.302
where: short stacking energy: -74.612
Base-Backbone interact. energy: -0.459
local terms energy: -81.968821
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -15.613
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.311
tors. eta vs tors. theta energy: -23.719
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: 4
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -234.720475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.720475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.720475 (E_RNA)
where:
Base-Base interactions energy: -159.953
where: short stacking energy: -54.749
Base-Backbone interact. energy: -0.466
local terms energy: -74.301684
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -12.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -214.686236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.686236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.686236 (E_RNA)
where:
Base-Base interactions energy: -142.598
where: short stacking energy: -61.770
Base-Backbone interact. energy: -0.201
local terms energy: -71.887612
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -13.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -121.519183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.519183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.519183 (E_RNA)
where:
Base-Base interactions energy: -59.845
where: short stacking energy: -35.211
Base-Backbone interact. energy: -0.004
local terms energy: -61.669667
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -5.326
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -105.413786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.413786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.413786 (E_RNA)
where:
Base-Base interactions energy: -46.058
where: short stacking energy: -30.899
Base-Backbone interact. energy: -0.792
local terms energy: -58.563439
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -17.936
flat angles C4'-P-C4' energy: -11.617
flat angles P-C4'-P energy: -11.975
tors. eta vs tors. theta energy: -3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -93.136683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.136683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.136683 (E_RNA)
where:
Base-Base interactions energy: -44.169
where: short stacking energy: -35.871
Base-Backbone interact. energy: -0.187
local terms energy: -48.780368
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -13.153
flat angles C4'-P-C4' energy: -9.859
flat angles P-C4'-P energy: -4.327
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: 7
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -85.408250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.408250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.408250 (E_RNA)
where:
Base-Base interactions energy: -30.329
where: short stacking energy: -30.329
Base-Backbone interact. energy: 0.310
local terms energy: -55.389953
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -86.651177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.651177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.651177 (E_RNA)
where:
Base-Base interactions energy: -30.458
where: short stacking energy: -30.220
Base-Backbone interact. energy: -0.145
local terms energy: -56.048446
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -14.152
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: 0.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -248.257118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.257118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.257118 (E_RNA)
where:
Base-Base interactions energy: -168.986
where: short stacking energy: -74.707
Base-Backbone interact. energy: 0.077
local terms energy: -79.348715
where:
bonds (distance) C4'-P energy: -18.000
bonds (distance) P-C4' energy: -13.243
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -10.968
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: 2, replica: 9
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -240.113136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.113136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.113136 (E_RNA)
where:
Base-Base interactions energy: -161.486
where: short stacking energy: -75.246
Base-Backbone interact. energy: -0.435
local terms energy: -78.192334
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -230.628572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.628572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.628572 (E_RNA)
where:
Base-Base interactions energy: -159.031
where: short stacking energy: -65.353
Base-Backbone interact. energy: -0.248
local terms energy: -71.349699
where:
bonds (distance) C4'-P energy: -14.019
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -14.948
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -233.118688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.118688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.118688 (E_RNA)
where:
Base-Base interactions energy: -169.104
where: short stacking energy: -69.431
Base-Backbone interact. energy: -0.588
local terms energy: -63.426200
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -13.084
flat angles P-C4'-P energy: -5.038
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: 5, replica: 4
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -229.334516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.334516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.334516 (E_RNA)
where:
Base-Base interactions energy: -167.903
where: short stacking energy: -64.760
Base-Backbone interact. energy: -0.328
local terms energy: -61.102980
where:
bonds (distance) C4'-P energy: -14.952
bonds (distance) P-C4' energy: -10.618
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -12.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -94.426574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.426574 (E_RNA)
where:
Base-Base interactions energy: -41.208
where: short stacking energy: -25.971
Base-Backbone interact. energy: -0.380
local terms energy: -52.838721
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -3.572
tors. eta vs tors. theta energy: -2.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -107.487174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.487174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.487174 (E_RNA)
where:
Base-Base interactions energy: -44.573
where: short stacking energy: -44.573
Base-Backbone interact. energy: -0.138
local terms energy: -62.775988
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -128.633132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.633132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.633132 (E_RNA)
where:
Base-Base interactions energy: -73.584
where: short stacking energy: -37.552
Base-Backbone interact. energy: -0.528
local terms energy: -54.521038
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -4.775
tors. eta vs tors. theta energy: -6.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -90.835367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.835367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.835367 (E_RNA)
where:
Base-Base interactions energy: -28.923
where: short stacking energy: -28.184
Base-Backbone interact. energy: -0.140
local terms energy: -61.772955
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -1.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -83.067308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.067308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.067308 (E_RNA)
where:
Base-Base interactions energy: -29.302
where: short stacking energy: -23.219
Base-Backbone interact. energy: -0.970
local terms energy: -52.795524
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: 0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -249.098612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.098612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.098612 (E_RNA)
where:
Base-Base interactions energy: -170.932
where: short stacking energy: -69.693
Base-Backbone interact. energy: -0.480
local terms energy: -77.686498
where:
bonds (distance) C4'-P energy: -15.524
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -16.733
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -15.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -244.904142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.904142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.904142 (E_RNA)
where:
Base-Base interactions energy: -166.132
where: short stacking energy: -77.650
Base-Backbone interact. energy: -0.383
local terms energy: -78.389043
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -13.851
flat angles P-C4'-P energy: -10.572
tors. eta vs tors. theta energy: -19.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -235.106498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.106498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.106498 (E_RNA)
where:
Base-Base interactions energy: -160.507
where: short stacking energy: -67.084
Base-Backbone interact. energy: -1.281
local terms energy: -73.318532
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -16.429
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -233.900922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.900922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.900922 (E_RNA)
where:
Base-Base interactions energy: -172.290
where: short stacking energy: -75.677
Base-Backbone interact. energy: -0.131
local terms energy: -61.480352
where:
bonds (distance) C4'-P energy: -9.990
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -6.340
tors. eta vs tors. theta energy: -14.589
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: 4
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -217.025968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.025968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.025968 (E_RNA)
where:
Base-Base interactions energy: -147.205
where: short stacking energy: -60.884
Base-Backbone interact. energy: -0.948
local terms energy: -68.872727
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -12.044
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -16.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -102.984871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.984871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.984871 (E_RNA)
where:
Base-Base interactions energy: -45.599
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.909
local terms energy: -56.476555
where:
bonds (distance) C4'-P energy: -17.059
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -14.533
flat angles P-C4'-P energy: -2.166
tors. eta vs tors. theta energy: -5.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -137.475937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.475937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.475937 (E_RNA)
where:
Base-Base interactions energy: -71.562
where: short stacking energy: -40.497
Base-Backbone interact. energy: -0.365
local terms energy: -65.549351
where:
bonds (distance) C4'-P energy: -14.796
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -14.964
flat angles P-C4'-P energy: -12.102
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: 8, replica: 10
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -97.846288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.846288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.846288 (E_RNA)
where:
Base-Base interactions energy: -56.577
where: short stacking energy: -30.777
Base-Backbone interact. energy: -0.398
local terms energy: -40.871667
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -11.168
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -3.950
tors. eta vs tors. theta energy: -2.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -99.877885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.877885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.877885 (E_RNA)
where:
Base-Base interactions energy: -36.416
where: short stacking energy: -33.489
Base-Backbone interact. energy: -0.165
local terms energy: -63.297793
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -13.296
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -12.208
tors. eta vs tors. theta energy: -4.117
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: 8
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -104.095805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.095805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.095805 (E_RNA)
where:
Base-Base interactions energy: -50.712
where: short stacking energy: -35.653
Base-Backbone interact. energy: -0.033
local terms energy: -53.350411
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -7.499
tors. eta vs tors. theta energy: -4.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -250.164388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.164388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.164388 (E_RNA)
where:
Base-Base interactions energy: -174.150
where: short stacking energy: -67.958
Base-Backbone interact. energy: 0.316
local terms energy: -76.330250
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -17.476
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -13.133
tors. eta vs tors. theta energy: -16.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -232.120189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.120189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.120189 (E_RNA)
where:
Base-Base interactions energy: -152.698
where: short stacking energy: -68.366
Base-Backbone interact. energy: -1.243
local terms energy: -78.179363
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -16.942
flat angles P-C4'-P energy: -12.411
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -231.502158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.502158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.502158 (E_RNA)
where:
Base-Base interactions energy: -152.357
where: short stacking energy: -67.285
Base-Backbone interact. energy: 0.678
local terms energy: -79.822677
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -14.977
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -17.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -233.506393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.506393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.506393 (E_RNA)
where:
Base-Base interactions energy: -153.734
where: short stacking energy: -65.336
Base-Backbone interact. energy: -1.096
local terms energy: -78.676785
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -220.935126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.935126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.935126 (E_RNA)
where:
Base-Base interactions energy: -144.858
where: short stacking energy: -63.892
Base-Backbone interact. energy: -0.154
local terms energy: -75.923579
where:
bonds (distance) C4'-P energy: -16.741
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -13.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -170.845541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.845541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.845541 (E_RNA)
where:
Base-Base interactions energy: -105.872
where: short stacking energy: -55.839
Base-Backbone interact. energy: -0.150
local terms energy: -64.823691
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -11.212
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: 5
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -95.026320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.026320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.026320 (E_RNA)
where:
Base-Base interactions energy: -38.443
where: short stacking energy: -38.443
Base-Backbone interact. energy: 0.540
local terms energy: -57.123303
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.170
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -5.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -88.792317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.792317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.792317 (E_RNA)
where:
Base-Base interactions energy: -33.890
where: short stacking energy: -32.512
Base-Backbone interact. energy: -0.108
local terms energy: -54.793442
where:
bonds (distance) C4'-P energy: -10.295
bonds (distance) P-C4' energy: -11.839
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -5.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -96.269302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.269302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.269302 (E_RNA)
where:
Base-Base interactions energy: -38.283
where: short stacking energy: -28.583
Base-Backbone interact. energy: -0.117
local terms energy: -57.868670
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -7.843
tors. eta vs tors. theta energy: -2.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -93.416622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.416622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.416622 (E_RNA)
where:
Base-Base interactions energy: -30.380
where: short stacking energy: -21.610
Base-Backbone interact. energy: -0.370
local terms energy: -62.666625
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -9.122
tors. eta vs tors. theta energy: -3.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -248.752843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.752843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.752843 (E_RNA)
where:
Base-Base interactions energy: -166.391
where: short stacking energy: -67.648
Base-Backbone interact. energy: -0.506
local terms energy: -81.856185
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -13.389
tors. eta vs tors. theta energy: -15.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -245.180706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.180706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.180706 (E_RNA)
where:
Base-Base interactions energy: -158.049
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.489
local terms energy: -86.642726
where:
bonds (distance) C4'-P energy: -15.557
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -228.219024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.219024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.219024 (E_RNA)
where:
Base-Base interactions energy: -156.639
where: short stacking energy: -54.698
Base-Backbone interact. energy: -0.937
local terms energy: -70.642644
where:
bonds (distance) C4'-P energy: -10.706
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -12.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -220.465822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.465822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.465822 (E_RNA)
where:
Base-Base interactions energy: -149.201
where: short stacking energy: -63.358
Base-Backbone interact. energy: -0.274
local terms energy: -70.990862
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -14.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -218.735796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.735796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.735796 (E_RNA)
where:
Base-Base interactions energy: -151.383
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.359
local terms energy: -66.993834
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.539
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -164.423424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.423424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.423424 (E_RNA)
where:
Base-Base interactions energy: -98.146
where: short stacking energy: -52.255
Base-Backbone interact. energy: -0.023
local terms energy: -66.254608
where:
bonds (distance) C4'-P energy: -12.228
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -7.146
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: 7, replica: 10
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -97.644436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.644436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.644436 (E_RNA)
where:
Base-Base interactions energy: -38.382
where: short stacking energy: -37.928
Base-Backbone interact. energy: -0.314
local terms energy: -58.948342
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -9.786
flat angles P-C4'-P energy: -9.543
tors. eta vs tors. theta energy: -6.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -101.158388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.158388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.158388 (E_RNA)
where:
Base-Base interactions energy: -41.605
where: short stacking energy: -40.441
Base-Backbone interact. energy: -0.189
local terms energy: -59.363553
where:
bonds (distance) C4'-P energy: -6.922
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -8.598
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -85.519673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.519673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.519673 (E_RNA)
where:
Base-Base interactions energy: -38.288
where: short stacking energy: -38.301
Base-Backbone interact. energy: -0.190
local terms energy: -47.041808
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -13.128
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -6.776
tors. eta vs tors. theta energy: 0.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -80.924686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.924686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.924686 (E_RNA)
where:
Base-Base interactions energy: -24.046
where: short stacking energy: -21.758
Base-Backbone interact. energy: -0.457
local terms energy: -56.420700
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: 1.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -240.218416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.218416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.218416 (E_RNA)
where:
Base-Base interactions energy: -154.904
where: short stacking energy: -68.748
Base-Backbone interact. energy: -0.526
local terms energy: -84.788671
where:
bonds (distance) C4'-P energy: -18.604
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -19.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -241.083912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.083912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.083912 (E_RNA)
where:
Base-Base interactions energy: -168.343
where: short stacking energy: -76.171
Base-Backbone interact. energy: -0.256
local terms energy: -72.485161
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -14.697
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -10.119
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: 3, replica: 1
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -229.304559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.304559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.304559 (E_RNA)
where:
Base-Base interactions energy: -160.913
where: short stacking energy: -66.628
Base-Backbone interact. energy: 0.230
local terms energy: -68.620945
where:
bonds (distance) C4'-P energy: -16.467
bonds (distance) P-C4' energy: -14.451
flat angles C4'-P-C4' energy: -18.172
flat angles P-C4'-P energy: -9.249
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: 4, replica: 4
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -226.309620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.309620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.309620 (E_RNA)
where:
Base-Base interactions energy: -156.098
where: short stacking energy: -73.299
Base-Backbone interact. energy: -2.271
local terms energy: -67.939898
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -6.079
tors. eta vs tors. theta energy: -18.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -221.669544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.669544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.669544 (E_RNA)
where:
Base-Base interactions energy: -149.988
where: short stacking energy: -67.435
Base-Backbone interact. energy: 0.264
local terms energy: -71.944846
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -155.488264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.488264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.488264 (E_RNA)
where:
Base-Base interactions energy: -81.614
where: short stacking energy: -42.046
Base-Backbone interact. energy: -0.018
local terms energy: -73.856682
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -13.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -97.754285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.754285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.754285 (E_RNA)
where:
Base-Base interactions energy: -33.211
where: short stacking energy: -32.724
Base-Backbone interact. energy: -0.122
local terms energy: -64.421309
where:
bonds (distance) C4'-P energy: -16.844
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -4.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -89.772615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.772615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.772615 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -33.687
Base-Backbone interact. energy: -0.155
local terms energy: -55.930313
where:
bonds (distance) C4'-P energy: -12.156
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -12.408
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -82.430385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.430385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.430385 (E_RNA)
where:
Base-Base interactions energy: -31.468
where: short stacking energy: -24.176
Base-Backbone interact. energy: -0.146
local terms energy: -50.816591
where:
bonds (distance) C4'-P energy: -13.006
bonds (distance) P-C4' energy: -12.938
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -9.624
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: 10, replica: 8
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -84.261843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.261843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.261843 (E_RNA)
where:
Base-Base interactions energy: -34.899
where: short stacking energy: -22.687
Base-Backbone interact. energy: 1.926
local terms energy: -51.288374
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -7.229
tors. eta vs tors. theta energy: 1.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -239.574485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.574485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.574485 (E_RNA)
where:
Base-Base interactions energy: -158.012
where: short stacking energy: -75.608
Base-Backbone interact. energy: 1.247
local terms energy: -82.808677
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -14.560
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -238.502942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.502942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.502942 (E_RNA)
where:
Base-Base interactions energy: -155.720
where: short stacking energy: -71.360
Base-Backbone interact. energy: -0.109
local terms energy: -82.673417
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -16.581
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -20.564
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: 4
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -231.254972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.254972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.254972 (E_RNA)
where:
Base-Base interactions energy: -147.013
where: short stacking energy: -65.747
Base-Backbone interact. energy: -1.304
local terms energy: -82.937245
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -19.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -236.831847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.831847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.831847 (E_RNA)
where:
Base-Base interactions energy: -163.311
where: short stacking energy: -60.741
Base-Backbone interact. energy: -0.903
local terms energy: -72.617005
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -13.131
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -16.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -219.308762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.308762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.308762 (E_RNA)
where:
Base-Base interactions energy: -146.654
where: short stacking energy: -67.254
Base-Backbone interact. energy: -0.140
local terms energy: -72.515091
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.812
flat angles P-C4'-P energy: -10.811
tors. eta vs tors. theta energy: -14.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -166.526378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.526378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.526378 (E_RNA)
where:
Base-Base interactions energy: -92.794
where: short stacking energy: -50.510
Base-Backbone interact. energy: -0.064
local terms energy: -73.668273
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -18.179
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -17.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -109.466876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.466876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.466876 (E_RNA)
where:
Base-Base interactions energy: -48.649
where: short stacking energy: -46.121
Base-Backbone interact. energy: -0.013
local terms energy: -60.804519
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -14.004
flat angles C4'-P-C4' energy: -15.241
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -87.143774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143774 (E_RNA)
where:
Base-Base interactions energy: -22.436
where: short stacking energy: -19.609
Base-Backbone interact. energy: -0.212
local terms energy: -64.495815
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -91.636296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.636296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.636296 (E_RNA)
where:
Base-Base interactions energy: -36.023
where: short stacking energy: -35.573
Base-Backbone interact. energy: -0.155
local terms energy: -55.458751
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -6.009
tors. eta vs tors. theta energy: -6.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -84.118294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.118294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.118294 (E_RNA)
where:
Base-Base interactions energy: -44.633
where: short stacking energy: -26.330
Base-Backbone interact. energy: 0.326
local terms energy: -39.810553
where:
bonds (distance) C4'-P energy: -6.573
bonds (distance) P-C4' energy: -9.562
flat angles C4'-P-C4' energy: -13.702
flat angles P-C4'-P energy: -9.233
tors. eta vs tors. theta energy: -0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -240.251304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.251304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.251304 (E_RNA)
where:
Base-Base interactions energy: -164.127
where: short stacking energy: -67.874
Base-Backbone interact. energy: 0.022
local terms energy: -76.146576
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -16.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -240.271831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.271831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.271831 (E_RNA)
where:
Base-Base interactions energy: -156.987
where: short stacking energy: -68.740
Base-Backbone interact. energy: -0.802
local terms energy: -82.483122
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -12.579
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: 3, replica: 9
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -241.389018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.389018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.389018 (E_RNA)
where:
Base-Base interactions energy: -162.661
where: short stacking energy: -68.277
Base-Backbone interact. energy: -0.231
local terms energy: -78.497076
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -15.524
flat angles C4'-P-C4' energy: -15.571
flat angles P-C4'-P energy: -8.922
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: 6
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -225.431911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.431911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.431911 (E_RNA)
where:
Base-Base interactions energy: -148.560
where: short stacking energy: -64.608
Base-Backbone interact. energy: -0.815
local terms energy: -76.057064
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -13.624
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -17.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -227.812157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.812157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.812157 (E_RNA)
where:
Base-Base interactions energy: -154.925
where: short stacking energy: -60.822
Base-Backbone interact. energy: -0.255
local terms energy: -72.632313
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -16.258
flat angles P-C4'-P energy: -11.418
tors. eta vs tors. theta energy: -15.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -151.610482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.610482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.610482 (E_RNA)
where:
Base-Base interactions energy: -90.093
where: short stacking energy: -50.616
Base-Backbone interact. energy: -0.031
local terms energy: -61.486270
where:
bonds (distance) C4'-P energy: -10.533
bonds (distance) P-C4' energy: -11.207
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: -14.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -104.614251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.614251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.614251 (E_RNA)
where:
Base-Base interactions energy: -49.082
where: short stacking energy: -49.082
Base-Backbone interact. energy: -0.206
local terms energy: -55.325669
where:
bonds (distance) C4'-P energy: -11.241
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -6.226
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: 8, replica: 3
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -105.538199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.538199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.538199 (E_RNA)
where:
Base-Base interactions energy: -41.626
where: short stacking energy: -37.398
Base-Backbone interact. energy: -0.143
local terms energy: -63.769424
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -13.640
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: 9, replica: 8
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -103.309816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.309816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.309816 (E_RNA)
where:
Base-Base interactions energy: -39.072
where: short stacking energy: -38.670
Base-Backbone interact. energy: -0.186
local terms energy: -64.050975
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -15.394
flat angles P-C4'-P energy: -11.343
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: 10, replica: 5
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -84.082934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.082934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.082934 (E_RNA)
where:
Base-Base interactions energy: -32.620
where: short stacking energy: -24.368
Base-Backbone interact. energy: -0.075
local terms energy: -51.387728
where:
bonds (distance) C4'-P energy: -13.258
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -10.636
flat angles P-C4'-P energy: -6.550
tors. eta vs tors. theta energy: -2.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -238.723767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.723767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.723767 (E_RNA)
where:
Base-Base interactions energy: -154.740
where: short stacking energy: -66.820
Base-Backbone interact. energy: -0.117
local terms energy: -83.865998
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -17.801
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -234.273998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.273998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.273998 (E_RNA)
where:
Base-Base interactions energy: -152.345
where: short stacking energy: -66.933
Base-Backbone interact. energy: -0.251
local terms energy: -81.677116
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.956
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -238.284820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.284820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.284820 (E_RNA)
where:
Base-Base interactions energy: -166.844
where: short stacking energy: -60.661
Base-Backbone interact. energy: 0.919
local terms energy: -72.360041
where:
bonds (distance) C4'-P energy: -16.157
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -15.049
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -16.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -228.805384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.805384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.805384 (E_RNA)
where:
Base-Base interactions energy: -154.843
where: short stacking energy: -67.569
Base-Backbone interact. energy: 0.305
local terms energy: -74.267494
where:
bonds (distance) C4'-P energy: -11.936
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -15.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -221.828525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.828525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.828525 (E_RNA)
where:
Base-Base interactions energy: -164.404
where: short stacking energy: -62.029
Base-Backbone interact. energy: -0.491
local terms energy: -56.933952
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -9.989
flat angles P-C4'-P energy: -3.563
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: 6, replica: 7
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -168.953234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.953234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.953234 (E_RNA)
where:
Base-Base interactions energy: -110.751
where: short stacking energy: -52.216
Base-Backbone interact. energy: -0.872
local terms energy: -57.330279
where:
bonds (distance) C4'-P energy: -13.853
bonds (distance) P-C4' energy: -9.492
flat angles C4'-P-C4' energy: -10.471
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -10.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -105.396775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.396775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.396775 (E_RNA)
where:
Base-Base interactions energy: -52.725
where: short stacking energy: -44.668
Base-Backbone interact. energy: -0.052
local terms energy: -52.619075
where:
bonds (distance) C4'-P energy: -8.424
bonds (distance) P-C4' energy: -15.520
flat angles C4'-P-C4' energy: -15.607
flat angles P-C4'-P energy: -2.964
tors. eta vs tors. theta energy: -10.104
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: 282
Temperature: 1.250000
Total energy: -112.699562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.699562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.699562 (E_RNA)
where:
Base-Base interactions energy: -71.518
where: short stacking energy: -28.816
Base-Backbone interact. energy: -0.742
local terms energy: -40.439883
where:
bonds (distance) C4'-P energy: -12.307
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -10.503
flat angles P-C4'-P energy: -8.078
tors. eta vs tors. theta energy: 2.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -87.616563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.616563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.616563 (E_RNA)
where:
Base-Base interactions energy: -28.732
where: short stacking energy: -27.198
Base-Backbone interact. energy: 0.331
local terms energy: -59.215806
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -12.224
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: 8
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -93.462243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.462243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.462243 (E_RNA)
where:
Base-Base interactions energy: -35.061
where: short stacking energy: -34.407
Base-Backbone interact. energy: -0.030
local terms energy: -58.371589
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -11.145
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: 1, replica: 4
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -239.446701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.446701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.446701 (E_RNA)
where:
Base-Base interactions energy: -163.481
where: short stacking energy: -76.885
Base-Backbone interact. energy: 0.668
local terms energy: -76.633577
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -13.191
tors. eta vs tors. theta energy: -18.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -235.553730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.553730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.553730 (E_RNA)
where:
Base-Base interactions energy: -153.123
where: short stacking energy: -68.593
Base-Backbone interact. energy: -1.858
local terms energy: -80.572589
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -237.292193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.292193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.292193 (E_RNA)
where:
Base-Base interactions energy: -153.987
where: short stacking energy: -72.229
Base-Backbone interact. energy: -0.165
local terms energy: -83.140195
where:
bonds (distance) C4'-P energy: -16.257
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -15.079
flat angles P-C4'-P energy: -12.787
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: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -233.962013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.962013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.962013 (E_RNA)
where:
Base-Base interactions energy: -159.903
where: short stacking energy: -63.608
Base-Backbone interact. energy: 0.153
local terms energy: -74.211884
where:
bonds (distance) C4'-P energy: -13.301
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -12.703
tors. eta vs tors. theta energy: -16.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -216.915359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.915359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.915359 (E_RNA)
where:
Base-Base interactions energy: -151.274
where: short stacking energy: -64.752
Base-Backbone interact. energy: -0.141
local terms energy: -65.500244
where:
bonds (distance) C4'-P energy: -11.956
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -15.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -159.269164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.269164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.269164 (E_RNA)
where:
Base-Base interactions energy: -87.869
where: short stacking energy: -60.961
Base-Backbone interact. energy: -0.191
local terms energy: -71.209096
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -6.945
tors. eta vs tors. theta energy: -17.372
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: 10
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -88.277287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.277287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.277287 (E_RNA)
where:
Base-Base interactions energy: -42.593
where: short stacking energy: -37.998
Base-Backbone interact. energy: 0.694
local terms energy: -46.378827
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -11.165
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: 0.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -98.171851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.171851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.171851 (E_RNA)
where:
Base-Base interactions energy: -34.658
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.502
local terms energy: -64.016184
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -18.169
flat angles P-C4'-P energy: -5.154
tors. eta vs tors. theta energy: -8.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -80.774848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.774848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.774848 (E_RNA)
where:
Base-Base interactions energy: -33.754
where: short stacking energy: -25.709
Base-Backbone interact. energy: -0.241
local terms energy: -46.780087
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -8.593
flat angles C4'-P-C4' energy: -13.166
flat angles P-C4'-P energy: -7.324
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.146482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.146482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.146482 (E_RNA)
where:
Base-Base interactions energy: -30.105
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.227
local terms energy: -55.814256
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -8.435
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -12.176
tors. eta vs tors. theta energy: 0.804
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: 1, replica: 4
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -244.463880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.463880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.463880 (E_RNA)
where:
Base-Base interactions energy: -164.564
where: short stacking energy: -81.353
Base-Backbone interact. energy: -1.128
local terms energy: -78.772007
where:
bonds (distance) C4'-P energy: -14.781
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.269
flat angles P-C4'-P energy: -6.698
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: 2, replica: 9
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -232.352478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.352478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.352478 (E_RNA)
where:
Base-Base interactions energy: -157.813
where: short stacking energy: -62.930
Base-Backbone interact. energy: -0.407
local terms energy: -74.131966
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -13.785
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -17.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -239.137888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.137888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.137888 (E_RNA)
where:
Base-Base interactions energy: -152.085
where: short stacking energy: -67.601
Base-Backbone interact. energy: -0.764
local terms energy: -86.288649
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -16.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -235.448208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.448208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.448208 (E_RNA)
where:
Base-Base interactions energy: -159.836
where: short stacking energy: -65.257
Base-Backbone interact. energy: 0.295
local terms energy: -75.906729
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -17.845
flat angles C4'-P-C4' energy: -14.223
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -13.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -230.812614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.812614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.812614 (E_RNA)
where:
Base-Base interactions energy: -150.265
where: short stacking energy: -70.391
Base-Backbone interact. energy: -0.435
local terms energy: -80.112982
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.323
flat angles P-C4'-P energy: -10.713
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: 6, replica: 7
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -145.891189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.891189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.891189 (E_RNA)
where:
Base-Base interactions energy: -88.351
where: short stacking energy: -49.982
Base-Backbone interact. energy: 0.117
local terms energy: -57.657274
where:
bonds (distance) C4'-P energy: -10.522
bonds (distance) P-C4' energy: -10.805
flat angles C4'-P-C4' energy: -13.517
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -11.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -93.448926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.448926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.448926 (E_RNA)
where:
Base-Base interactions energy: -39.944
where: short stacking energy: -36.359
Base-Backbone interact. energy: -0.056
local terms energy: -53.448343
where:
bonds (distance) C4'-P energy: -14.219
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -14.355
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -2.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -98.055667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.055667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.055667 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -34.265
Base-Backbone interact. energy: 0.902
local terms energy: -55.708153
where:
bonds (distance) C4'-P energy: -11.902
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -17.157
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: -4.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -91.838874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.838874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.838874 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -22.718
Base-Backbone interact. energy: -0.554
local terms energy: -56.709649
where:
bonds (distance) C4'-P energy: -18.005
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -7.771
flat angles P-C4'-P energy: -8.541
tors. eta vs tors. theta energy: -3.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -89.324693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.324693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.324693 (E_RNA)
where:
Base-Base interactions energy: -33.541
where: short stacking energy: -33.541
Base-Backbone interact. energy: -0.256
local terms energy: -55.527291
where:
bonds (distance) C4'-P energy: -16.094
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -13.823
flat angles P-C4'-P energy: -6.524
tors. eta vs tors. theta energy: -7.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -246.222972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.222972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.222972 (E_RNA)
where:
Base-Base interactions energy: -157.130
where: short stacking energy: -76.122
Base-Backbone interact. energy: -0.553
local terms energy: -88.540002
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -15.856
tors. eta vs tors. theta energy: -22.520
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: 9
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -241.772372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.772372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.772372 (E_RNA)
where:
Base-Base interactions energy: -162.729
where: short stacking energy: -66.236
Base-Backbone interact. energy: -0.575
local terms energy: -78.468878
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -12.768
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -20.600
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: 6
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -244.357228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.357228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.357228 (E_RNA)
where:
Base-Base interactions energy: -165.976
where: short stacking energy: -67.150
Base-Backbone interact. energy: 2.415
local terms energy: -80.796061
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -18.067
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -15.080
tors. eta vs tors. theta energy: -15.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -240.667678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.667678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.667678 (E_RNA)
where:
Base-Base interactions energy: -162.731
where: short stacking energy: -77.492
Base-Backbone interact. energy: -0.482
local terms energy: -77.454839
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -12.826
tors. eta vs tors. theta energy: -19.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -223.453402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.453402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.453402 (E_RNA)
where:
Base-Base interactions energy: -147.545
where: short stacking energy: -64.161
Base-Backbone interact. energy: -0.364
local terms energy: -75.544104
where:
bonds (distance) C4'-P energy: -12.679
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -7.504
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -159.548506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.548506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.548506 (E_RNA)
where:
Base-Base interactions energy: -100.183
where: short stacking energy: -44.933
Base-Backbone interact. energy: -0.022
local terms energy: -59.343555
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -10.214
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -10.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -111.074347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.074347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.074347 (E_RNA)
where:
Base-Base interactions energy: -44.705
where: short stacking energy: -34.553
Base-Backbone interact. energy: -0.081
local terms energy: -66.288067
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -6.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -112.944844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.944844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.944844 (E_RNA)
where:
Base-Base interactions energy: -55.014
where: short stacking energy: -41.895
Base-Backbone interact. energy: 0.743
local terms energy: -58.673511
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -13.788
flat angles P-C4'-P energy: -9.084
tors. eta vs tors. theta energy: -3.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -86.570524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570524 (E_RNA)
where:
Base-Base interactions energy: -33.526
where: short stacking energy: -32.185
Base-Backbone interact. energy: 2.413
local terms energy: -55.457288
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -8.322
flat angles P-C4'-P energy: -7.085
tors. eta vs tors. theta energy: -6.381
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: 3
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -82.672830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.672830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.672830 (E_RNA)
where:
Base-Base interactions energy: -29.746
where: short stacking energy: -20.981
Base-Backbone interact. energy: -0.791
local terms energy: -52.135283
where:
bonds (distance) C4'-P energy: -13.759
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: 2.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -241.836618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.836618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.836618 (E_RNA)
where:
Base-Base interactions energy: -153.223
where: short stacking energy: -78.206
Base-Backbone interact. energy: 0.680
local terms energy: -89.294170
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -16.921
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -22.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -240.773628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.773628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.773628 (E_RNA)
where:
Base-Base interactions energy: -164.353
where: short stacking energy: -75.384
Base-Backbone interact. energy: -1.067
local terms energy: -75.353605
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -12.867
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -233.458744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.458744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.458744 (E_RNA)
where:
Base-Base interactions energy: -155.823
where: short stacking energy: -66.736
Base-Backbone interact. energy: -1.633
local terms energy: -76.002246
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -242.074331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.074331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.074331 (E_RNA)
where:
Base-Base interactions energy: -164.766
where: short stacking energy: -63.503
Base-Backbone interact. energy: -0.051
local terms energy: -77.257308
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -11.921
tors. eta vs tors. theta energy: -11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -231.259597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.259597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.259597 (E_RNA)
where:
Base-Base interactions energy: -161.175
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.157
local terms energy: -69.927190
where:
bonds (distance) C4'-P energy: -13.512
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -17.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -164.342176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.342176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.342176 (E_RNA)
where:
Base-Base interactions energy: -102.795
where: short stacking energy: -46.420
Base-Backbone interact. energy: -0.454
local terms energy: -61.093720
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -15.977
flat angles P-C4'-P energy: -6.595
tors. eta vs tors. theta energy: -10.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -99.100964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.100964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.100964 (E_RNA)
where:
Base-Base interactions energy: -42.432
where: short stacking energy: -27.818
Base-Backbone interact. energy: -0.377
local terms energy: -56.291995
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -12.717
flat angles P-C4'-P energy: -9.221
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: 8
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -98.851197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.851197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.851197 (E_RNA)
where:
Base-Base interactions energy: -54.610
where: short stacking energy: -28.796
Base-Backbone interact. energy: -0.557
local terms energy: -43.684906
where:
bonds (distance) C4'-P energy: -14.187
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -4.678
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: -1.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -94.006563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.006563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.006563 (E_RNA)
where:
Base-Base interactions energy: -45.878
where: short stacking energy: -29.178
Base-Backbone interact. energy: 1.861
local terms energy: -49.989600
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -4.659
tors. eta vs tors. theta energy: 0.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -94.351517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.351517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.351517 (E_RNA)
where:
Base-Base interactions energy: -48.184
where: short stacking energy: -34.772
Base-Backbone interact. energy: 0.362
local terms energy: -46.529084
where:
bonds (distance) C4'-P energy: -11.056
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -12.049
flat angles P-C4'-P energy: -2.735
tors. eta vs tors. theta energy: -4.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -238.088758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.088758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.088758 (E_RNA)
where:
Base-Base interactions energy: -157.460
where: short stacking energy: -74.634
Base-Backbone interact. energy: 0.426
local terms energy: -81.054190
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -19.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -244.153944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.153944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.153944 (E_RNA)
where:
Base-Base interactions energy: -160.194
where: short stacking energy: -69.902
Base-Backbone interact. energy: 1.127
local terms energy: -85.086986
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -246.798823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.798823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.798823 (E_RNA)
where:
Base-Base interactions energy: -174.719
where: short stacking energy: -68.658
Base-Backbone interact. energy: -0.146
local terms energy: -71.934128
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -17.170
flat angles P-C4'-P energy: -7.125
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: 4, replica: 1
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -237.776264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.776264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.776264 (E_RNA)
where:
Base-Base interactions energy: -158.574
where: short stacking energy: -68.527
Base-Backbone interact. energy: -0.319
local terms energy: -78.882728
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -222.689412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.689412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.689412 (E_RNA)
where:
Base-Base interactions energy: -147.783
where: short stacking energy: -57.680
Base-Backbone interact. energy: -0.181
local terms energy: -74.725780
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -13.491
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -7.209
tors. eta vs tors. theta energy: -16.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -102.236699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.236699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.236699 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -40.869
Base-Backbone interact. energy: -0.019
local terms energy: -60.394305
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -14.346
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -4.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -169.358377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.358377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.358377 (E_RNA)
where:
Base-Base interactions energy: -103.484
where: short stacking energy: -54.580
Base-Backbone interact. energy: -0.594
local terms energy: -65.279730
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.813
flat angles P-C4'-P energy: -0.512
tors. eta vs tors. theta energy: -17.291
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: 3
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -97.722113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.722113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.722113 (E_RNA)
where:
Base-Base interactions energy: -36.122
where: short stacking energy: -36.092
Base-Backbone interact. energy: -0.274
local terms energy: -61.326425
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -14.500
flat angles P-C4'-P energy: -8.865
tors. eta vs tors. theta energy: -9.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -88.196122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.196122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.196122 (E_RNA)
where:
Base-Base interactions energy: -35.314
where: short stacking energy: -31.373
Base-Backbone interact. energy: 0.375
local terms energy: -53.257172
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -9.556
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -92.605667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.605667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.605667 (E_RNA)
where:
Base-Base interactions energy: -36.426
where: short stacking energy: -27.304
Base-Backbone interact. energy: -0.077
local terms energy: -56.102905
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -2.751
tors. eta vs tors. theta energy: -2.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -244.019780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.019780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.019780 (E_RNA)
where:
Base-Base interactions energy: -163.395
where: short stacking energy: -70.947
Base-Backbone interact. energy: -0.756
local terms energy: -79.868071
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -19.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -235.991330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.991330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.991330 (E_RNA)
where:
Base-Base interactions energy: -160.513
where: short stacking energy: -65.898
Base-Backbone interact. energy: -0.298
local terms energy: -75.180635
where:
bonds (distance) C4'-P energy: -17.351
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -9.730
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: 3, replica: 2
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -242.989178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.989178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.989178 (E_RNA)
where:
Base-Base interactions energy: -169.466
where: short stacking energy: -74.976
Base-Backbone interact. energy: -0.025
local terms energy: -73.497635
where:
bonds (distance) C4'-P energy: -11.354
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -12.410
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -234.719693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.719693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.719693 (E_RNA)
where:
Base-Base interactions energy: -171.071
where: short stacking energy: -66.111
Base-Backbone interact. energy: 1.556
local terms energy: -65.204241
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -6.606
tors. eta vs tors. theta energy: -16.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -220.360522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.360522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.360522 (E_RNA)
where:
Base-Base interactions energy: -151.079
where: short stacking energy: -66.658
Base-Backbone interact. energy: -0.233
local terms energy: -69.048859
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -11.779
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -16.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -106.233880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.233880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.233880 (E_RNA)
where:
Base-Base interactions energy: -47.158
where: short stacking energy: -44.525
Base-Backbone interact. energy: -0.305
local terms energy: -58.771341
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -9.247
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -9.627
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: 7
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -157.252921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.252921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.252921 (E_RNA)
where:
Base-Base interactions energy: -99.743
where: short stacking energy: -39.073
Base-Backbone interact. energy: -0.385
local terms energy: -57.125013
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -8.955
flat angles C4'-P-C4' energy: -11.108
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -8.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -88.484149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.484149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.484149 (E_RNA)
where:
Base-Base interactions energy: -32.684
where: short stacking energy: -31.984
Base-Backbone interact. energy: -0.197
local terms energy: -55.602544
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -2.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -87.549999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.549999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.549999 (E_RNA)
where:
Base-Base interactions energy: -32.077
where: short stacking energy: -32.077
Base-Backbone interact. energy: -0.175
local terms energy: -55.297693
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -8.201
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -1.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -85.914206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.914206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.914206 (E_RNA)
where:
Base-Base interactions energy: -39.820
where: short stacking energy: -37.938
Base-Backbone interact. energy: -0.334
local terms energy: -45.759351
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -12.972
flat angles C4'-P-C4' energy: -5.628
flat angles P-C4'-P energy: -7.134
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -248.576663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.576663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.576663 (E_RNA)
where:
Base-Base interactions energy: -163.240
where: short stacking energy: -73.027
Base-Backbone interact. energy: -0.630
local terms energy: -84.706746
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -13.489
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -241.392620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.392620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.392620 (E_RNA)
where:
Base-Base interactions energy: -158.405
where: short stacking energy: -79.120
Base-Backbone interact. energy: -0.462
local terms energy: -82.525255
where:
bonds (distance) C4'-P energy: -18.609
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -10.622
tors. eta vs tors. theta energy: -18.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -235.180786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.180786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.180786 (E_RNA)
where:
Base-Base interactions energy: -164.301
where: short stacking energy: -67.675
Base-Backbone interact. energy: -0.242
local terms energy: -70.637062
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -14.046
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -15.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -226.247297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.247297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.247297 (E_RNA)
where:
Base-Base interactions energy: -153.383
where: short stacking energy: -72.251
Base-Backbone interact. energy: -0.389
local terms energy: -72.475245
where:
bonds (distance) C4'-P energy: -12.299
bonds (distance) P-C4' energy: -11.789
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -12.299
tors. eta vs tors. theta energy: -18.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -221.215992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.215992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.215992 (E_RNA)
where:
Base-Base interactions energy: -156.267
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.235
local terms energy: -64.713809
where:
bonds (distance) C4'-P energy: -13.537
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -8.727
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -14.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -167.492462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.492462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.492462 (E_RNA)
where:
Base-Base interactions energy: -101.042
where: short stacking energy: -50.646
Base-Backbone interact. energy: -0.226
local terms energy: -66.224239
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -8.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -91.074153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.074153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.074153 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -33.314
Base-Backbone interact. energy: 0.177
local terms energy: -57.936966
where:
bonds (distance) C4'-P energy: -11.140
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -9.567
tors. eta vs tors. theta energy: -4.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -83.352660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.352660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.352660 (E_RNA)
where:
Base-Base interactions energy: -31.041
where: short stacking energy: -27.868
Base-Backbone interact. energy: 0.397
local terms energy: -52.708731
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -14.409
flat angles C4'-P-C4' energy: -14.354
flat angles P-C4'-P energy: -3.140
tors. eta vs tors. theta energy: -2.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -78.375236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.375236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.375236 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -17.621
Base-Backbone interact. energy: -1.437
local terms energy: -50.515904
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -13.989
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.372
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: 8
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -77.853741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.853741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.853741 (E_RNA)
where:
Base-Base interactions energy: -31.603
where: short stacking energy: -26.556
Base-Backbone interact. energy: -0.293
local terms energy: -45.956970
where:
bonds (distance) C4'-P energy: -7.286
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -246.512597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.512597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.512597 (E_RNA)
where:
Base-Base interactions energy: -164.828
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.727
local terms energy: -80.957176
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -242.945666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.945666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.945666 (E_RNA)
where:
Base-Base interactions energy: -155.642
where: short stacking energy: -67.716
Base-Backbone interact. energy: -0.492
local terms energy: -86.811937
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -19.311
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -247.251547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.251547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.251547 (E_RNA)
where:
Base-Base interactions energy: -171.735
where: short stacking energy: -66.407
Base-Backbone interact. energy: 0.073
local terms energy: -75.589808
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -12.634
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -18.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -222.474968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.474968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.474968 (E_RNA)
where:
Base-Base interactions energy: -143.399
where: short stacking energy: -60.951
Base-Backbone interact. energy: -0.263
local terms energy: -78.812428
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -17.169
flat angles P-C4'-P energy: -8.727
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -169.740388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.740388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.740388 (E_RNA)
where:
Base-Base interactions energy: -105.857
where: short stacking energy: -44.582
Base-Backbone interact. energy: -0.031
local terms energy: -63.852078
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -13.896
flat angles P-C4'-P energy: -11.411
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: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -140.446520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.446520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.446520 (E_RNA)
where:
Base-Base interactions energy: -76.151
where: short stacking energy: -40.361
Base-Backbone interact. energy: 0.934
local terms energy: -65.229437
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -13.444
flat angles P-C4'-P energy: -11.548
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: 7, replica: 10
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -98.921972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.921972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.921972 (E_RNA)
where:
Base-Base interactions energy: -38.020
where: short stacking energy: -38.020
Base-Backbone interact. energy: -0.226
local terms energy: -60.675933
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -11.624
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -6.840
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: 5
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -83.350866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.350866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.350866 (E_RNA)
where:
Base-Base interactions energy: -23.411
where: short stacking energy: -17.515
Base-Backbone interact. energy: -0.170
local terms energy: -59.769972
where:
bonds (distance) C4'-P energy: -15.365
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: 1.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -79.996170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.996170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.996170 (E_RNA)
where:
Base-Base interactions energy: -26.899
where: short stacking energy: -26.116
Base-Backbone interact. energy: 4.762
local terms energy: -57.859485
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -9.807
flat angles P-C4'-P energy: -14.167
tors. eta vs tors. theta energy: -2.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -89.538650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538650 (E_RNA)
where:
Base-Base interactions energy: -43.133
where: short stacking energy: -29.798
Base-Backbone interact. energy: -0.183
local terms energy: -46.223085
where:
bonds (distance) C4'-P energy: -9.256
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -13.184
flat angles P-C4'-P energy: -3.186
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -244.595103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.595103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.595103 (E_RNA)
where:
Base-Base interactions energy: -169.835
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.274
local terms energy: -74.486431
where:
bonds (distance) C4'-P energy: -13.023
bonds (distance) P-C4' energy: -13.463
flat angles C4'-P-C4' energy: -17.938
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -18.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -261.205944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.205944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.205944 (E_RNA)
where:
Base-Base interactions energy: -178.140
where: short stacking energy: -70.026
Base-Backbone interact. energy: -0.113
local terms energy: -82.952920
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -11.338
tors. eta vs tors. theta energy: -18.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -245.158371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.158371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.158371 (E_RNA)
where:
Base-Base interactions energy: -169.166
where: short stacking energy: -72.048
Base-Backbone interact. energy: -0.393
local terms energy: -75.599902
where:
bonds (distance) C4'-P energy: -10.680
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -19.979
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: 6
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -231.427003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.427003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.427003 (E_RNA)
where:
Base-Base interactions energy: -156.947
where: short stacking energy: -80.060
Base-Backbone interact. energy: 2.195
local terms energy: -76.674867
where:
bonds (distance) C4'-P energy: -17.660
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -19.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -180.451591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.451591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.451591 (E_RNA)
where:
Base-Base interactions energy: -115.925
where: short stacking energy: -59.420
Base-Backbone interact. energy: -0.213
local terms energy: -64.313969
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -15.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -130.169536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.169536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.169536 (E_RNA)
where:
Base-Base interactions energy: -58.662
where: short stacking energy: -37.556
Base-Backbone interact. energy: -0.003
local terms energy: -71.505122
where:
bonds (distance) C4'-P energy: -12.561
bonds (distance) P-C4' energy: -19.359
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -14.704
tors. eta vs tors. theta energy: -9.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -115.832815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.832815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.832815 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -47.511
Base-Backbone interact. energy: -0.412
local terms energy: -67.910589
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -15.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -112.913206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.913206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.913206 (E_RNA)
where:
Base-Base interactions energy: -54.801
where: short stacking energy: -26.022
Base-Backbone interact. energy: -0.737
local terms energy: -57.375658
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.381
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -90.297859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.297859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.297859 (E_RNA)
where:
Base-Base interactions energy: -42.915
where: short stacking energy: -33.336
Base-Backbone interact. energy: 0.883
local terms energy: -48.265414
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -12.465
flat angles C4'-P-C4' energy: -9.429
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -103.530619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.530619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.530619 (E_RNA)
where:
Base-Base interactions energy: -48.573
where: short stacking energy: -48.573
Base-Backbone interact. energy: -0.055
local terms energy: -54.902715
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -7.459
flat angles P-C4'-P energy: -5.436
tors. eta vs tors. theta energy: -12.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -243.810479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.810479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.810479 (E_RNA)
where:
Base-Base interactions energy: -164.078
where: short stacking energy: -71.380
Base-Backbone interact. energy: 0.925
local terms energy: -80.656780
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -12.394
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -259.229835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.229835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.229835 (E_RNA)
where:
Base-Base interactions energy: -180.225
where: short stacking energy: -68.634
Base-Backbone interact. energy: -1.496
local terms energy: -77.508524
where:
bonds (distance) C4'-P energy: -13.136
bonds (distance) P-C4' energy: -14.605
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -13.065
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: 3, replica: 9
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -238.240016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.240016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.240016 (E_RNA)
where:
Base-Base interactions energy: -158.802
where: short stacking energy: -72.253
Base-Backbone interact. energy: -1.119
local terms energy: -78.319624
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -13.677
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -21.282
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: 4, replica: 6
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -226.034004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.034004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.034004 (E_RNA)
where:
Base-Base interactions energy: -150.070
where: short stacking energy: -65.396
Base-Backbone interact. energy: -0.111
local terms energy: -75.853009
where:
bonds (distance) C4'-P energy: -16.078
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -9.460
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: 1
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -182.506792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.506792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.506792 (E_RNA)
where:
Base-Base interactions energy: -114.388
where: short stacking energy: -60.696
Base-Backbone interact. energy: -0.271
local terms energy: -67.846949
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -12.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -114.384352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.384352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.384352 (E_RNA)
where:
Base-Base interactions energy: -52.894
where: short stacking energy: -38.547
Base-Backbone interact. energy: -0.191
local terms energy: -61.299444
where:
bonds (distance) C4'-P energy: -12.151
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -8.174
tors. eta vs tors. theta energy: -5.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -102.147935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147935 (E_RNA)
where:
Base-Base interactions energy: -41.302
where: short stacking energy: -37.031
Base-Backbone interact. energy: -0.617
local terms energy: -60.229046
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -15.773
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.625
tors. eta vs tors. theta energy: -1.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -93.778846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.778846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.778846 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -28.437
Base-Backbone interact. energy: -0.345
local terms energy: -58.888394
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -12.982
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -1.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -80.987294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.987294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.987294 (E_RNA)
where:
Base-Base interactions energy: -37.523
where: short stacking energy: -24.984
Base-Backbone interact. energy: -0.198
local terms energy: -43.265631
where:
bonds (distance) C4'-P energy: -9.586
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -10.751
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: 0.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -90.419523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419523 (E_RNA)
where:
Base-Base interactions energy: -41.052
where: short stacking energy: -28.885
Base-Backbone interact. energy: -0.259
local terms energy: -49.108573
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -11.546
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -7.957
tors. eta vs tors. theta energy: 0.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -248.092714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.092714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.092714 (E_RNA)
where:
Base-Base interactions energy: -164.652
where: short stacking energy: -65.973
Base-Backbone interact. energy: -0.330
local terms energy: -83.111042
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -17.479
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -18.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -243.305588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.305588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.305588 (E_RNA)
where:
Base-Base interactions energy: -171.308
where: short stacking energy: -65.515
Base-Backbone interact. energy: 1.794
local terms energy: -73.791621
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -13.802
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -10.623
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: 9
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -238.251854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.251854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.251854 (E_RNA)
where:
Base-Base interactions energy: -152.120
where: short stacking energy: -66.515
Base-Backbone interact. energy: -1.407
local terms energy: -84.724473
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -22.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -225.569899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.569899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.569899 (E_RNA)
where:
Base-Base interactions energy: -148.613
where: short stacking energy: -68.721
Base-Backbone interact. energy: 1.193
local terms energy: -78.150053
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -11.675
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: 5, replica: 1
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -199.313205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.313205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.313205 (E_RNA)
where:
Base-Base interactions energy: -123.725
where: short stacking energy: -69.092
Base-Backbone interact. energy: -0.174
local terms energy: -75.413942
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -11.389
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -10.639
tors. eta vs tors. theta energy: -19.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -112.865196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.865196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.865196 (E_RNA)
where:
Base-Base interactions energy: -62.041
where: short stacking energy: -44.496
Base-Backbone interact. energy: -0.208
local terms energy: -50.617150
where:
bonds (distance) C4'-P energy: -8.333
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -8.493
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: 7, replica: 10
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -107.803835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.803835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.803835 (E_RNA)
where:
Base-Base interactions energy: -44.164
where: short stacking energy: -44.164
Base-Backbone interact. energy: -0.247
local terms energy: -63.392766
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -6.214
tors. eta vs tors. theta energy: -10.424
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: 8
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -94.108648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.108648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.108648 (E_RNA)
where:
Base-Base interactions energy: -32.424
where: short stacking energy: -28.943
Base-Backbone interact. energy: -0.165
local terms energy: -61.519130
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -10.920
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -82.951682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.951682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.951682 (E_RNA)
where:
Base-Base interactions energy: -28.825
where: short stacking energy: -27.512
Base-Backbone interact. energy: -0.706
local terms energy: -53.421162
where:
bonds (distance) C4'-P energy: -17.796
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -9.808
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -0.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -89.706066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.706066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.706066 (E_RNA)
where:
Base-Base interactions energy: -43.257
where: short stacking energy: -36.985
Base-Backbone interact. energy: -0.162
local terms energy: -46.286553
where:
bonds (distance) C4'-P energy: -11.501
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -9.177
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -2.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -251.246953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.246953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.246953 (E_RNA)
where:
Base-Base interactions energy: -170.125
where: short stacking energy: -72.755
Base-Backbone interact. energy: 0.085
local terms energy: -81.207190
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -16.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -236.347610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.347610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.347610 (E_RNA)
where:
Base-Base interactions energy: -159.301
where: short stacking energy: -63.365
Base-Backbone interact. energy: 0.236
local terms energy: -77.282644
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -15.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -235.182715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.182715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.182715 (E_RNA)
where:
Base-Base interactions energy: -156.871
where: short stacking energy: -73.906
Base-Backbone interact. energy: -0.477
local terms energy: -77.834527
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -13.822
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -253.328618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.328618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.328618 (E_RNA)
where:
Base-Base interactions energy: -180.253
where: short stacking energy: -62.031
Base-Backbone interact. energy: -0.298
local terms energy: -72.778312
where:
bonds (distance) C4'-P energy: -13.010
bonds (distance) P-C4' energy: -15.897
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -14.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -192.501844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.501844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.501844 (E_RNA)
where:
Base-Base interactions energy: -121.012
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.044
local terms energy: -71.445216
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -14.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -124.007954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.007954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.007954 (E_RNA)
where:
Base-Base interactions energy: -76.930
where: short stacking energy: -33.862
Base-Backbone interact. energy: -0.197
local terms energy: -46.881185
where:
bonds (distance) C4'-P energy: -12.813
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -4.667
tors. eta vs tors. theta energy: 0.407
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: 8
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -99.302707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.302707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.302707 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -34.933
Base-Backbone interact. energy: 0.810
local terms energy: -60.751042
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -8.075
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: 8, replica: 10
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -111.674498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.674498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.674498 (E_RNA)
where:
Base-Base interactions energy: -55.837
where: short stacking energy: -31.717
Base-Backbone interact. energy: -0.420
local terms energy: -55.417371
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -0.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -91.197933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.197933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.197933 (E_RNA)
where:
Base-Base interactions energy: -38.303
where: short stacking energy: -26.274
Base-Backbone interact. energy: 0.758
local terms energy: -53.653543
where:
bonds (distance) C4'-P energy: -9.985
bonds (distance) P-C4' energy: -17.634
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -8.415
tors. eta vs tors. theta energy: -2.134
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: 3
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -82.976414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.976414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.976414 (E_RNA)
where:
Base-Base interactions energy: -35.045
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.204
local terms energy: -47.727922
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.048
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -0.381
tors. eta vs tors. theta energy: -1.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -251.126201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.126201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.126201 (E_RNA)
where:
Base-Base interactions energy: -168.564
where: short stacking energy: -70.280
Base-Backbone interact. energy: -0.077
local terms energy: -82.485200
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -14.637
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -244.675940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.675940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.675940 (E_RNA)
where:
Base-Base interactions energy: -160.636
where: short stacking energy: -74.242
Base-Backbone interact. energy: 1.243
local terms energy: -85.283197
where:
bonds (distance) C4'-P energy: -17.010
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -22.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -234.637085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.637085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.637085 (E_RNA)
where:
Base-Base interactions energy: -154.006
where: short stacking energy: -71.117
Base-Backbone interact. energy: 1.025
local terms energy: -81.656884
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -13.078
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -232.812768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.812768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.812768 (E_RNA)
where:
Base-Base interactions energy: -163.205
where: short stacking energy: -68.352
Base-Backbone interact. energy: 5.808
local terms energy: -75.416082
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -14.421
flat angles P-C4'-P energy: -12.217
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: 5, replica: 1
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -184.233636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.233636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.233636 (E_RNA)
where:
Base-Base interactions energy: -111.004
where: short stacking energy: -62.672
Base-Backbone interact. energy: -0.344
local terms energy: -72.885057
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -15.870
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -11.899
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: 6, replica: 7
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -132.181480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.181480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.181480 (E_RNA)
where:
Base-Base interactions energy: -73.291
where: short stacking energy: -36.276
Base-Backbone interact. energy: 0.861
local terms energy: -59.752337
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -6.832
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: 7, replica: 8
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -111.216734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.216734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.216734 (E_RNA)
where:
Base-Base interactions energy: -54.847
where: short stacking energy: -42.148
Base-Backbone interact. energy: -1.212
local terms energy: -55.157899
where:
bonds (distance) C4'-P energy: -11.704
bonds (distance) P-C4' energy: -15.099
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: -1.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -102.766359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.766359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.766359 (E_RNA)
where:
Base-Base interactions energy: -39.673
where: short stacking energy: -39.673
Base-Backbone interact. energy: -0.005
local terms energy: -63.088024
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -14.800
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -4.599
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: 10
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -94.430947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.430947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.430947 (E_RNA)
where:
Base-Base interactions energy: -48.516
where: short stacking energy: -40.172
Base-Backbone interact. energy: -0.276
local terms energy: -45.638995
where:
bonds (distance) C4'-P energy: -10.922
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -6.067
flat angles P-C4'-P energy: -8.536
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -75.977409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.977409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.977409 (E_RNA)
where:
Base-Base interactions energy: -24.745
where: short stacking energy: -22.044
Base-Backbone interact. energy: -0.296
local terms energy: -50.935949
where:
bonds (distance) C4'-P energy: -11.499
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -7.689
tors. eta vs tors. theta energy: 1.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -250.618598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.618598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.618598 (E_RNA)
where:
Base-Base interactions energy: -168.388
where: short stacking energy: -75.077
Base-Backbone interact. energy: -0.555
local terms energy: -81.675991
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.970
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -254.975862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.975862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.975862 (E_RNA)
where:
Base-Base interactions energy: -179.725
where: short stacking energy: -70.551
Base-Backbone interact. energy: -0.244
local terms energy: -75.007532
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -17.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -226.887052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.887052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.887052 (E_RNA)
where:
Base-Base interactions energy: -142.334
where: short stacking energy: -66.447
Base-Backbone interact. energy: -2.544
local terms energy: -82.009515
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -224.898308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.898308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.898308 (E_RNA)
where:
Base-Base interactions energy: -141.818
where: short stacking energy: -61.065
Base-Backbone interact. energy: -0.134
local terms energy: -82.946395
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -16.841
flat angles P-C4'-P energy: -11.867
tors. eta vs tors. theta energy: -18.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -164.929903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.929903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.929903 (E_RNA)
where:
Base-Base interactions energy: -96.474
where: short stacking energy: -54.507
Base-Backbone interact. energy: -0.651
local terms energy: -67.804298
where:
bonds (distance) C4'-P energy: -13.193
bonds (distance) P-C4' energy: -14.000
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -12.487
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -124.127769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.127769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.127769 (E_RNA)
where:
Base-Base interactions energy: -71.737
where: short stacking energy: -39.462
Base-Backbone interact. energy: -0.337
local terms energy: -52.053983
where:
bonds (distance) C4'-P energy: -13.772
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -12.722
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: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -123.390082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.390082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.390082 (E_RNA)
where:
Base-Base interactions energy: -60.193
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.398
local terms energy: -62.799387
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -17.049
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -9.441
tors. eta vs tors. theta energy: -6.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -89.386574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.386574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.386574 (E_RNA)
where:
Base-Base interactions energy: -44.661
where: short stacking energy: -33.567
Base-Backbone interact. energy: -0.029
local terms energy: -44.695974
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -1.891
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: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -108.875501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.875501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.875501 (E_RNA)
where:
Base-Base interactions energy: -53.044
where: short stacking energy: -31.459
Base-Backbone interact. energy: -0.064
local terms energy: -55.767840
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.308
flat angles P-C4'-P energy: -7.879
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: 10, replica: 3
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.076957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.076957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.076957 (E_RNA)
where:
Base-Base interactions energy: -20.912
where: short stacking energy: -17.090
Base-Backbone interact. energy: -0.171
local terms energy: -56.993663
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -10.921
tors. eta vs tors. theta energy: 0.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -254.006770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.006770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.006770 (E_RNA)
where:
Base-Base interactions energy: -172.375
where: short stacking energy: -76.254
Base-Backbone interact. energy: -0.366
local terms energy: -81.266469
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -14.757
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: 2
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -253.897647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.897647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.897647 (E_RNA)
where:
Base-Base interactions energy: -181.034
where: short stacking energy: -73.984
Base-Backbone interact. energy: 0.325
local terms energy: -73.188533
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.286
tors. eta vs tors. theta energy: -18.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -236.736967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.736967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.736967 (E_RNA)
where:
Base-Base interactions energy: -155.479
where: short stacking energy: -70.731
Base-Backbone interact. energy: -0.619
local terms energy: -80.639267
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -14.090
tors. eta vs tors. theta energy: -16.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -182.666496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.666496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.666496 (E_RNA)
where:
Base-Base interactions energy: -107.446
where: short stacking energy: -62.292
Base-Backbone interact. energy: -0.081
local terms energy: -75.139277
where:
bonds (distance) C4'-P energy: -16.973
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -16.607
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -14.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -225.781952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.781952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.781952 (E_RNA)
where:
Base-Base interactions energy: -153.359
where: short stacking energy: -68.644
Base-Backbone interact. energy: -0.420
local terms energy: -72.003469
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -12.288
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: 7
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -128.608257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.608257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.608257 (E_RNA)
where:
Base-Base interactions energy: -60.261
where: short stacking energy: -38.199
Base-Backbone interact. energy: -1.277
local terms energy: -67.069707
where:
bonds (distance) C4'-P energy: -15.830
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -10.028
tors. eta vs tors. theta energy: -7.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -99.869277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.869277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.869277 (E_RNA)
where:
Base-Base interactions energy: -40.902
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.263
local terms energy: -58.703745
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -6.994
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: 8, replica: 10
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -103.849862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.849862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.849862 (E_RNA)
where:
Base-Base interactions energy: -52.004
where: short stacking energy: -25.782
Base-Backbone interact. energy: 3.280
local terms energy: -55.125815
where:
bonds (distance) C4'-P energy: -15.469
bonds (distance) P-C4' energy: -14.373
flat angles C4'-P-C4' energy: -15.295
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: 2.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -87.622791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.622791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.622791 (E_RNA)
where:
Base-Base interactions energy: -36.781
where: short stacking energy: -26.482
Base-Backbone interact. energy: -0.194
local terms energy: -50.647270
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -8.974
flat angles P-C4'-P energy: -8.346
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: 10, replica: 3
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -84.710991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.710991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.710991 (E_RNA)
where:
Base-Base interactions energy: -31.842
where: short stacking energy: -22.403
Base-Backbone interact. energy: -0.458
local terms energy: -52.410359
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -13.160
flat angles P-C4'-P energy: -8.704
tors. eta vs tors. theta energy: 1.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -247.467807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.467807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.467807 (E_RNA)
where:
Base-Base interactions energy: -178.614
where: short stacking energy: -68.114
Base-Backbone interact. energy: 0.543
local terms energy: -69.396966
where:
bonds (distance) C4'-P energy: -11.047
bonds (distance) P-C4' energy: -13.824
flat angles C4'-P-C4' energy: -13.186
flat angles P-C4'-P energy: -13.646
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: 2, replica: 9
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -244.535456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.535456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.535456 (E_RNA)
where:
Base-Base interactions energy: -162.926
where: short stacking energy: -60.802
Base-Backbone interact. energy: -0.638
local terms energy: -80.970838
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -16.817
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -21.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -230.213316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.213316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.213316 (E_RNA)
where:
Base-Base interactions energy: -153.945
where: short stacking energy: -70.320
Base-Backbone interact. energy: 0.281
local terms energy: -76.549573
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -14.074
flat angles P-C4'-P energy: -10.126
tors. eta vs tors. theta energy: -19.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -186.745924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.745924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.745924 (E_RNA)
where:
Base-Base interactions energy: -111.090
where: short stacking energy: -55.955
Base-Backbone interact. energy: -0.311
local terms energy: -75.344421
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -17.744
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -13.453
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: 4
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -223.758630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.758630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.758630 (E_RNA)
where:
Base-Base interactions energy: -157.951
where: short stacking energy: -66.270
Base-Backbone interact. energy: -0.598
local terms energy: -65.209826
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -9.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -131.919329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.919329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.919329 (E_RNA)
where:
Base-Base interactions energy: -73.052
where: short stacking energy: -34.729
Base-Backbone interact. energy: -0.339
local terms energy: -58.528031
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -119.791097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.791097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.791097 (E_RNA)
where:
Base-Base interactions energy: -52.211
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.920
local terms energy: -66.660531
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.319
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -4.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -94.857259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.857259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.857259 (E_RNA)
where:
Base-Base interactions energy: -38.279
where: short stacking energy: -38.279
Base-Backbone interact. energy: -0.051
local terms energy: -56.526832
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -11.452
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -5.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -84.948889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.948889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.948889 (E_RNA)
where:
Base-Base interactions energy: -31.923
where: short stacking energy: -31.028
Base-Backbone interact. energy: -0.072
local terms energy: -52.953914
where:
bonds (distance) C4'-P energy: -14.691
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -7.314
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -89.359058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.359058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.359058 (E_RNA)
where:
Base-Base interactions energy: -44.376
where: short stacking energy: -44.376
Base-Backbone interact. energy: 0.014
local terms energy: -44.996718
where:
bonds (distance) C4'-P energy: -9.322
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -3.607
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: 1, replica: 2
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -260.024774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.024774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.024774 (E_RNA)
where:
Base-Base interactions energy: -178.916
where: short stacking energy: -67.911
Base-Backbone interact. energy: 1.301
local terms energy: -82.410087
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -18.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -242.486396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.486396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.486396 (E_RNA)
where:
Base-Base interactions energy: -163.917
where: short stacking energy: -84.231
Base-Backbone interact. energy: 0.646
local terms energy: -79.215661
where:
bonds (distance) C4'-P energy: -9.980
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -20.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -229.921242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.921242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.921242 (E_RNA)
where:
Base-Base interactions energy: -152.278
where: short stacking energy: -64.676
Base-Backbone interact. energy: -0.348
local terms energy: -77.295891
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.943
flat angles P-C4'-P energy: -13.454
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: 299
Temperature: 1.050000
Total energy: -229.331888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.331888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.331888 (E_RNA)
where:
Base-Base interactions energy: -163.165
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.257
local terms energy: -65.910264
where:
bonds (distance) C4'-P energy: -11.464
bonds (distance) P-C4' energy: -12.192
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.672
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: 5, replica: 1
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -178.559548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.559548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.559548 (E_RNA)
where:
Base-Base interactions energy: -110.496
where: short stacking energy: -40.726
Base-Backbone interact. energy: -0.754
local terms energy: -67.308970
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -19.035
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -10.559
tors. eta vs tors. theta energy: -7.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -122.069283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.069283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.069283 (E_RNA)
where:
Base-Base interactions energy: -64.414
where: short stacking energy: -44.563
Base-Backbone interact. energy: -1.300
local terms energy: -56.355278
where:
bonds (distance) C4'-P energy: -13.326
bonds (distance) P-C4' energy: -18.236
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -4.953
tors. eta vs tors. theta energy: -7.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -90.204414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.204414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.204414 (E_RNA)
where:
Base-Base interactions energy: -42.601
where: short stacking energy: -31.910
Base-Backbone interact. energy: -0.185
local terms energy: -47.418066
where:
bonds (distance) C4'-P energy: -14.881
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -5.193
flat angles P-C4'-P energy: -7.266
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -97.638918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.638918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.638918 (E_RNA)
where:
Base-Base interactions energy: -41.276
where: short stacking energy: -41.276
Base-Backbone interact. energy: -0.136
local terms energy: -56.226636
where:
bonds (distance) C4'-P energy: -13.416
bonds (distance) P-C4' energy: -11.190
flat angles C4'-P-C4' energy: -11.119
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -6.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -85.938297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.938297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.938297 (E_RNA)
where:
Base-Base interactions energy: -34.846
where: short stacking energy: -32.788
Base-Backbone interact. energy: 0.321
local terms energy: -51.413588
where:
bonds (distance) C4'-P energy: -9.908
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -10.432
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: 10, replica: 3
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -106.623264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.623264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.623264 (E_RNA)
where:
Base-Base interactions energy: -52.191
where: short stacking energy: -31.473
Base-Backbone interact. energy: 2.019
local terms energy: -56.451759
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -6.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -254.911205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.911205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.911205 (E_RNA)
where:
Base-Base interactions energy: -177.049
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.299
local terms energy: -77.563736
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -19.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -241.508877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.508877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.508877 (E_RNA)
where:
Base-Base interactions energy: -161.317
where: short stacking energy: -73.693
Base-Backbone interact. energy: -0.863
local terms energy: -79.329209
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -10.225
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -16.712
tors. eta vs tors. theta energy: -21.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -228.938123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.938123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.938123 (E_RNA)
where:
Base-Base interactions energy: -150.306
where: short stacking energy: -58.649
Base-Backbone interact. energy: -0.267
local terms energy: -78.365098
where:
bonds (distance) C4'-P energy: -17.833
bonds (distance) P-C4' energy: -13.925
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -12.285
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: 4, replica: 6
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -230.814610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.814610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.814610 (E_RNA)
where:
Base-Base interactions energy: -158.899
where: short stacking energy: -71.544
Base-Backbone interact. energy: -0.157
local terms energy: -71.758483
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -14.204
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -6.435
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -202.924555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.924555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.924555 (E_RNA)
where:
Base-Base interactions energy: -136.854
where: short stacking energy: -56.492
Base-Backbone interact. energy: 0.126
local terms energy: -66.196648
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -18.106
flat angles P-C4'-P energy: -7.383
tors. eta vs tors. theta energy: -12.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -129.265809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.265809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.265809 (E_RNA)
where:
Base-Base interactions energy: -70.203
where: short stacking energy: -40.405
Base-Backbone interact. energy: -0.510
local terms energy: -58.553162
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -11.186
flat angles P-C4'-P energy: -9.275
tors. eta vs tors. theta energy: -5.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -95.374094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.374094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.374094 (E_RNA)
where:
Base-Base interactions energy: -45.090
where: short stacking energy: -33.818
Base-Backbone interact. energy: -0.485
local terms energy: -49.799140
where:
bonds (distance) C4'-P energy: -13.876
bonds (distance) P-C4' energy: -10.154
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -96.802881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.802881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.802881 (E_RNA)
where:
Base-Base interactions energy: -41.000
where: short stacking energy: -32.494
Base-Backbone interact. energy: -1.651
local terms energy: -54.151280
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -11.544
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -3.522
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: 9, replica: 3
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -88.537972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.537972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.537972 (E_RNA)
where:
Base-Base interactions energy: -38.939
where: short stacking energy: -22.478
Base-Backbone interact. energy: 0.730
local terms energy: -50.328880
where:
bonds (distance) C4'-P energy: -19.242
bonds (distance) P-C4' energy: -10.364
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -0.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -80.479426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.479426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.479426 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -25.210
Base-Backbone interact. energy: 0.074
local terms energy: -51.320350
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -17.392
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -4.399
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -252.749333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.749333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.749333 (E_RNA)
where:
Base-Base interactions energy: -177.299
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.097
local terms energy: -75.352762
where:
bonds (distance) C4'-P energy: -16.824
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -15.460
flat angles P-C4'-P energy: -14.303
tors. eta vs tors. theta energy: -14.080
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: 9
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -245.970992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.970992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.970992 (E_RNA)
where:
Base-Base interactions energy: -161.009
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.552
local terms energy: -84.410336
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -22.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -231.089268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.089268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.089268 (E_RNA)
where:
Base-Base interactions energy: -148.542
where: short stacking energy: -66.207
Base-Backbone interact. energy: -1.862
local terms energy: -80.684350
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -16.544
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -19.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -235.493999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.493999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.493999 (E_RNA)
where:
Base-Base interactions energy: -162.789
where: short stacking energy: -65.533
Base-Backbone interact. energy: -0.543
local terms energy: -72.162353
where:
bonds (distance) C4'-P energy: -11.890
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -9.429
tors. eta vs tors. theta energy: -15.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -201.116100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.116100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.116100 (E_RNA)
where:
Base-Base interactions energy: -139.436
where: short stacking energy: -57.360
Base-Backbone interact. energy: -0.135
local terms energy: -61.545789
where:
bonds (distance) C4'-P energy: -17.465
bonds (distance) P-C4' energy: -9.352
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -7.494
tors. eta vs tors. theta energy: -12.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -150.052485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.052485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.052485 (E_RNA)
where:
Base-Base interactions energy: -83.360
where: short stacking energy: -45.359
Base-Backbone interact. energy: -0.116
local terms energy: -66.576606
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -13.263
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -98.022804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022804 (E_RNA)
where:
Base-Base interactions energy: -45.025
where: short stacking energy: -32.264
Base-Backbone interact. energy: 0.116
local terms energy: -53.113499
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -84.349737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.349737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.349737 (E_RNA)
where:
Base-Base interactions energy: -35.345
where: short stacking energy: -35.345
Base-Backbone interact. energy: -0.202
local terms energy: -48.802686
where:
bonds (distance) C4'-P energy: -8.512
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: 1.043
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: 3
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -95.915670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.915670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.915670 (E_RNA)
where:
Base-Base interactions energy: -36.558
where: short stacking energy: -33.396
Base-Backbone interact. energy: -0.189
local terms energy: -59.168468
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -10.663
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -10.907
tors. eta vs tors. theta energy: -7.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -75.308232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.308232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.308232 (E_RNA)
where:
Base-Base interactions energy: -31.387
where: short stacking energy: -21.673
Base-Backbone interact. energy: -1.245
local terms energy: -42.676393
where:
bonds (distance) C4'-P energy: -13.165
bonds (distance) P-C4' energy: -18.387
flat angles C4'-P-C4' energy: -12.151
flat angles P-C4'-P energy: -3.167
tors. eta vs tors. theta energy: 4.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -255.790434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.790434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.790434 (E_RNA)
where:
Base-Base interactions energy: -172.232
where: short stacking energy: -64.980
Base-Backbone interact. energy: -0.617
local terms energy: -82.941995
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -240.232382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.232382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.232382 (E_RNA)
where:
Base-Base interactions energy: -157.388
where: short stacking energy: -62.256
Base-Backbone interact. energy: -0.576
local terms energy: -82.268340
where:
bonds (distance) C4'-P energy: -14.975
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -19.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -232.681716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.681716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.681716 (E_RNA)
where:
Base-Base interactions energy: -161.904
where: short stacking energy: -65.210
Base-Backbone interact. energy: -0.708
local terms energy: -70.069796
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -224.888203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.888203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.888203 (E_RNA)
where:
Base-Base interactions energy: -152.765
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.243
local terms energy: -71.880266
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -11.709
tors. eta vs tors. theta energy: -15.123
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: 302
Temperature: 1.100000
Total energy: -204.812443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.812443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.812443 (E_RNA)
where:
Base-Base interactions energy: -139.992
where: short stacking energy: -66.290
Base-Backbone interact. energy: -0.378
local terms energy: -64.442660
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -15.406
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -15.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -149.188809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.188809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.188809 (E_RNA)
where:
Base-Base interactions energy: -98.905
where: short stacking energy: -52.999
Base-Backbone interact. energy: -0.076
local terms energy: -50.207624
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -14.087
flat angles C4'-P-C4' energy: -12.081
flat angles P-C4'-P energy: -5.084
tors. eta vs tors. theta energy: -6.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -96.391262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.391262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.391262 (E_RNA)
where:
Base-Base interactions energy: -37.376
where: short stacking energy: -31.149
Base-Backbone interact. energy: -1.283
local terms energy: -57.731876
where:
bonds (distance) C4'-P energy: -15.143
bonds (distance) P-C4' energy: -17.320
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -11.287
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: 8, replica: 8
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -86.464215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.464215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.464215 (E_RNA)
where:
Base-Base interactions energy: -38.661
where: short stacking energy: -33.428
Base-Backbone interact. energy: -0.027
local terms energy: -47.776340
where:
bonds (distance) C4'-P energy: -11.892
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -10.566
tors. eta vs tors. theta energy: 2.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -96.351428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.351428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.351428 (E_RNA)
where:
Base-Base interactions energy: -42.131
where: short stacking energy: -35.989
Base-Backbone interact. energy: -0.133
local terms energy: -54.086767
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -13.226
flat angles P-C4'-P energy: -7.768
tors. eta vs tors. theta energy: -1.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -81.337728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.337728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.337728 (E_RNA)
where:
Base-Base interactions energy: -35.184
where: short stacking energy: -31.357
Base-Backbone interact. energy: -0.018
local terms energy: -46.136192
where:
bonds (distance) C4'-P energy: -13.892
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -9.452
flat angles P-C4'-P energy: -4.842
tors. eta vs tors. theta energy: -0.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -254.717072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.717072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.717072 (E_RNA)
where:
Base-Base interactions energy: -173.377
where: short stacking energy: -73.247
Base-Backbone interact. energy: -0.015
local terms energy: -81.325318
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -18.137
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -17.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -242.113431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.113431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.113431 (E_RNA)
where:
Base-Base interactions energy: -158.923
where: short stacking energy: -75.793
Base-Backbone interact. energy: -0.345
local terms energy: -82.845832
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -19.177
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.008
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: 3, replica: 9
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -232.118030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.118030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.118030 (E_RNA)
where:
Base-Base interactions energy: -157.330
where: short stacking energy: -60.703
Base-Backbone interact. energy: -1.810
local terms energy: -72.977604
where:
bonds (distance) C4'-P energy: -12.084
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -9.911
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: 4, replica: 4
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -230.308219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.308219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.308219 (E_RNA)
where:
Base-Base interactions energy: -164.274
where: short stacking energy: -68.934
Base-Backbone interact. energy: -0.282
local terms energy: -65.751782
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -19.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -214.777354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.777354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.777354 (E_RNA)
where:
Base-Base interactions energy: -141.454
where: short stacking energy: -65.411
Base-Backbone interact. energy: -0.959
local terms energy: -72.364857
where:
bonds (distance) C4'-P energy: -12.842
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.620
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -180.925830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.925830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.925830 (E_RNA)
where:
Base-Base interactions energy: -117.048
where: short stacking energy: -56.833
Base-Backbone interact. energy: -0.940
local terms energy: -62.938505
where:
bonds (distance) C4'-P energy: -6.700
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -13.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -90.890832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.890832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.890832 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -23.991
Base-Backbone interact. energy: -0.186
local terms energy: -53.831364
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: 0.095
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: 8, replica: 5
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -95.912410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.912410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.912410 (E_RNA)
where:
Base-Base interactions energy: -41.188
where: short stacking energy: -39.280
Base-Backbone interact. energy: -0.261
local terms energy: -54.464058
where:
bonds (distance) C4'-P energy: -6.425
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -10.776
flat angles P-C4'-P energy: -15.319
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: 9, replica: 8
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -99.229817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.229817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.229817 (E_RNA)
where:
Base-Base interactions energy: -41.093
where: short stacking energy: -37.542
Base-Backbone interact. energy: -0.931
local terms energy: -57.206590
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -13.740
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: -7.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -85.376072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.376072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.376072 (E_RNA)
where:
Base-Base interactions energy: -33.717
where: short stacking energy: -27.335
Base-Backbone interact. energy: -0.092
local terms energy: -51.566569
where:
bonds (distance) C4'-P energy: -11.843
bonds (distance) P-C4' energy: -14.244
flat angles C4'-P-C4' energy: -12.678
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -2.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -248.234831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.234831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.234831 (E_RNA)
where:
Base-Base interactions energy: -167.453
where: short stacking energy: -78.525
Base-Backbone interact. energy: -0.373
local terms energy: -80.408944
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -249.881209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.881209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.881209 (E_RNA)
where:
Base-Base interactions energy: -172.355
where: short stacking energy: -73.862
Base-Backbone interact. energy: 0.368
local terms energy: -77.893558
where:
bonds (distance) C4'-P energy: -13.550
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -9.900
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: 4
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -234.489221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.489221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.489221 (E_RNA)
where:
Base-Base interactions energy: -161.844
where: short stacking energy: -70.108
Base-Backbone interact. energy: -0.113
local terms energy: -72.532319
where:
bonds (distance) C4'-P energy: -10.131
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -11.187
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: -19.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -236.592332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.592332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.592332 (E_RNA)
where:
Base-Base interactions energy: -158.103
where: short stacking energy: -74.588
Base-Backbone interact. energy: -0.561
local terms energy: -77.929133
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -12.616
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -10.176
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: 1
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -187.659970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.659970 (E_RNA)
where:
Base-Base interactions energy: -125.169
where: short stacking energy: -56.255
Base-Backbone interact. energy: -0.137
local terms energy: -62.354364
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -11.346
flat angles P-C4'-P energy: -5.875
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -161.387623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.387623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.387623 (E_RNA)
where:
Base-Base interactions energy: -95.875
where: short stacking energy: -53.615
Base-Backbone interact. energy: -0.177
local terms energy: -65.336151
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -12.273
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -9.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -96.386108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.386108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.386108 (E_RNA)
where:
Base-Base interactions energy: -40.242
where: short stacking energy: -39.936
Base-Backbone interact. energy: -0.320
local terms energy: -55.824144
where:
bonds (distance) C4'-P energy: -13.346
bonds (distance) P-C4' energy: -12.853
flat angles C4'-P-C4' energy: -13.446
flat angles P-C4'-P energy: -9.227
tors. eta vs tors. theta energy: -6.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -106.295560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.295560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.295560 (E_RNA)
where:
Base-Base interactions energy: -41.641
where: short stacking energy: -37.620
Base-Backbone interact. energy: -0.200
local terms energy: -64.455045
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -85.517780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.517780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.517780 (E_RNA)
where:
Base-Base interactions energy: -32.521
where: short stacking energy: -32.521
Base-Backbone interact. energy: 0.955
local terms energy: -53.951695
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -10.272
flat angles P-C4'-P energy: -9.676
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -95.223474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.223474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.223474 (E_RNA)
where:
Base-Base interactions energy: -43.022
where: short stacking energy: -34.918
Base-Backbone interact. energy: -0.956
local terms energy: -51.245323
where:
bonds (distance) C4'-P energy: -13.142
bonds (distance) P-C4' energy: -12.651
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -2.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -254.461415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.461415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.461415 (E_RNA)
where:
Base-Base interactions energy: -170.665
where: short stacking energy: -77.681
Base-Backbone interact. energy: -0.152
local terms energy: -83.644704
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -19.021
flat angles P-C4'-P energy: -12.083
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: 2, replica: 2
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -249.307855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.307855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.307855 (E_RNA)
where:
Base-Base interactions energy: -173.853
where: short stacking energy: -72.070
Base-Backbone interact. energy: 4.394
local terms energy: -79.848752
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -17.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -248.915966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.915966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.915966 (E_RNA)
where:
Base-Base interactions energy: -174.232
where: short stacking energy: -66.454
Base-Backbone interact. energy: -0.029
local terms energy: -74.654276
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -17.251
flat angles P-C4'-P energy: -9.198
tors. eta vs tors. theta energy: -15.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -212.847904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.847904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.847904 (E_RNA)
where:
Base-Base interactions energy: -137.720
where: short stacking energy: -59.963
Base-Backbone interact. energy: -1.204
local terms energy: -73.924100
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -13.776
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: -18.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -184.745015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.745015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.745015 (E_RNA)
where:
Base-Base interactions energy: -117.052
where: short stacking energy: -56.475
Base-Backbone interact. energy: -0.087
local terms energy: -67.606346
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -16.560
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -11.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -101.474269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.474269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.474269 (E_RNA)
where:
Base-Base interactions energy: -42.484
where: short stacking energy: -39.611
Base-Backbone interact. energy: -0.170
local terms energy: -58.820519
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -8.929
tors. eta vs tors. theta energy: -5.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -173.426186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.426186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.426186 (E_RNA)
where:
Base-Base interactions energy: -105.685
where: short stacking energy: -50.809
Base-Backbone interact. energy: -0.243
local terms energy: -67.498431
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -14.891
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -10.041
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: 305
Temperature: 1.250000
Total energy: -96.666531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.666531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.666531 (E_RNA)
where:
Base-Base interactions energy: -37.921
where: short stacking energy: -32.109
Base-Backbone interact. energy: -0.315
local terms energy: -58.430852
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -13.208
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -13.552
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -91.691025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.691025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.691025 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -38.160
Base-Backbone interact. energy: -0.058
local terms energy: -53.473351
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -12.461
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -5.059
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: 8
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -88.010994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.010994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.010994 (E_RNA)
where:
Base-Base interactions energy: -32.340
where: short stacking energy: -29.089
Base-Backbone interact. energy: -0.173
local terms energy: -55.498595
where:
bonds (distance) C4'-P energy: -12.655
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -12.573
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -3.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -255.476695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.476695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.476695 (E_RNA)
where:
Base-Base interactions energy: -179.739
where: short stacking energy: -78.626
Base-Backbone interact. energy: 0.617
local terms energy: -76.354477
where:
bonds (distance) C4'-P energy: -15.252
bonds (distance) P-C4' energy: -13.377
flat angles C4'-P-C4' energy: -15.900
flat angles P-C4'-P energy: -13.808
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: 2, replica: 6
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -237.333989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.333989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.333989 (E_RNA)
where:
Base-Base interactions energy: -159.284
where: short stacking energy: -68.503
Base-Backbone interact. energy: -0.182
local terms energy: -77.867808
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -19.622
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: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -229.890812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.890812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.890812 (E_RNA)
where:
Base-Base interactions energy: -159.154
where: short stacking energy: -61.886
Base-Backbone interact. energy: -0.435
local terms energy: -70.302074
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -7.416
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: 4, replica: 9
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -223.991276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.991276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.991276 (E_RNA)
where:
Base-Base interactions energy: -157.892
where: short stacking energy: -65.038
Base-Backbone interact. energy: -0.891
local terms energy: -65.208627
where:
bonds (distance) C4'-P energy: -12.467
bonds (distance) P-C4' energy: -12.954
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -12.330
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: 5, replica: 1
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -189.522443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.522443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.522443 (E_RNA)
where:
Base-Base interactions energy: -115.122
where: short stacking energy: -51.783
Base-Backbone interact. energy: -0.353
local terms energy: -74.047755
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -16.136
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -11.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -107.397342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.397342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.397342 (E_RNA)
where:
Base-Base interactions energy: -50.377
where: short stacking energy: -39.289
Base-Backbone interact. energy: -0.289
local terms energy: -56.731402
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -10.893
flat angles P-C4'-P energy: -7.379
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -117.553558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.553558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.553558 (E_RNA)
where:
Base-Base interactions energy: -60.911
where: short stacking energy: -43.931
Base-Backbone interact. energy: -0.022
local terms energy: -56.620892
where:
bonds (distance) C4'-P energy: -10.096
bonds (distance) P-C4' energy: -19.010
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -7.258
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: 7
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -160.668877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.668877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.668877 (E_RNA)
where:
Base-Base interactions energy: -97.002
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.086
local terms energy: -63.581290
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -12.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -102.994802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.994802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.994802 (E_RNA)
where:
Base-Base interactions energy: -42.092
where: short stacking energy: -42.092
Base-Backbone interact. energy: -0.252
local terms energy: -60.651021
where:
bonds (distance) C4'-P energy: -15.218
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.784
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -8.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -91.495636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.495636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.495636 (E_RNA)
where:
Base-Base interactions energy: -38.974
where: short stacking energy: -22.352
Base-Backbone interact. energy: -0.152
local terms energy: -52.369997
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -1.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -260.993245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.993245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.993245 (E_RNA)
where:
Base-Base interactions energy: -186.064
where: short stacking energy: -72.146
Base-Backbone interact. energy: -0.339
local terms energy: -74.590291
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -18.889
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -17.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -242.735644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.735644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.735644 (E_RNA)
where:
Base-Base interactions energy: -163.619
where: short stacking energy: -64.070
Base-Backbone interact. energy: 2.666
local terms energy: -81.782329
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -17.453
flat angles P-C4'-P energy: -11.565
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: 3, replica: 6
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -231.905884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.905884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.905884 (E_RNA)
where:
Base-Base interactions energy: -154.177
where: short stacking energy: -62.677
Base-Backbone interact. energy: -0.181
local terms energy: -77.547587
where:
bonds (distance) C4'-P energy: -19.142
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -10.792
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -228.307270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.307270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.307270 (E_RNA)
where:
Base-Base interactions energy: -163.321
where: short stacking energy: -60.557
Base-Backbone interact. energy: -0.798
local terms energy: -64.188663
where:
bonds (distance) C4'-P energy: -12.725
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -10.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -187.265523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.265523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.265523 (E_RNA)
where:
Base-Base interactions energy: -126.334
where: short stacking energy: -53.293
Base-Backbone interact. energy: -0.767
local terms energy: -60.165244
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -8.776
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: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -111.868358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.868358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.868358 (E_RNA)
where:
Base-Base interactions energy: -55.456
where: short stacking energy: -32.460
Base-Backbone interact. energy: -0.237
local terms energy: -56.175101
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -14.852
flat angles P-C4'-P energy: -11.242
tors. eta vs tors. theta energy: -4.515
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: 5
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -108.122329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.122329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.122329 (E_RNA)
where:
Base-Base interactions energy: -35.424
where: short stacking energy: -34.886
Base-Backbone interact. energy: -0.036
local terms energy: -72.662276
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.931
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: -16.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -107.682241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.682241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.682241 (E_RNA)
where:
Base-Base interactions energy: -52.039
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.587
local terms energy: -55.055441
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -8.828
tors. eta vs tors. theta energy: -0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -83.413942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.413942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.413942 (E_RNA)
where:
Base-Base interactions energy: -28.005
where: short stacking energy: -24.566
Base-Backbone interact. energy: -0.105
local terms energy: -55.303731
where:
bonds (distance) C4'-P energy: -13.221
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -76.644410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.644410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.644410 (E_RNA)
where:
Base-Base interactions energy: -32.672
where: short stacking energy: -28.721
Base-Backbone interact. energy: -0.029
local terms energy: -43.943775
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -14.477
flat angles C4'-P-C4' energy: -7.280
flat angles P-C4'-P energy: -4.961
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -260.525284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.525284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.525284 (E_RNA)
where:
Base-Base interactions energy: -181.996
where: short stacking energy: -73.087
Base-Backbone interact. energy: -0.057
local terms energy: -78.472028
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -17.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -240.175463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.175463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.175463 (E_RNA)
where:
Base-Base interactions energy: -156.513
where: short stacking energy: -63.575
Base-Backbone interact. energy: -0.040
local terms energy: -83.622657
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -17.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -220.754256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.754256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.754256 (E_RNA)
where:
Base-Base interactions energy: -156.426
where: short stacking energy: -67.807
Base-Backbone interact. energy: -0.105
local terms energy: -64.224202
where:
bonds (distance) C4'-P energy: -19.005
bonds (distance) P-C4' energy: -13.104
flat angles C4'-P-C4' energy: -12.366
flat angles P-C4'-P energy: -4.487
tors. eta vs tors. theta energy: -15.261
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: 4, replica: 6
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -212.705942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.705942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.705942 (E_RNA)
where:
Base-Base interactions energy: -144.611
where: short stacking energy: -52.773
Base-Backbone interact. energy: -0.501
local terms energy: -67.593835
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -13.657
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: 5, replica: 1
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -191.690629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.690629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.690629 (E_RNA)
where:
Base-Base interactions energy: -130.733
where: short stacking energy: -50.515
Base-Backbone interact. energy: -0.846
local terms energy: -60.111123
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -13.065
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: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -103.436533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.436533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.436533 (E_RNA)
where:
Base-Base interactions energy: -37.191
where: short stacking energy: -37.191
Base-Backbone interact. energy: -0.229
local terms energy: -66.016624
where:
bonds (distance) C4'-P energy: -9.961
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -10.142
tors. eta vs tors. theta energy: -11.031
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: 7
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -166.325306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.325306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.325306 (E_RNA)
where:
Base-Base interactions energy: -102.582
where: short stacking energy: -42.830
Base-Backbone interact. energy: -0.368
local terms energy: -63.374812
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -3.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -100.316408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.316408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.316408 (E_RNA)
where:
Base-Base interactions energy: -37.307
where: short stacking energy: -37.097
Base-Backbone interact. energy: -0.012
local terms energy: -62.996902
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -9.736
tors. eta vs tors. theta energy: -6.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -86.241275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.241275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.241275 (E_RNA)
where:
Base-Base interactions energy: -33.747
where: short stacking energy: -31.492
Base-Backbone interact. energy: 0.493
local terms energy: -52.986762
where:
bonds (distance) C4'-P energy: -18.285
bonds (distance) P-C4' energy: -8.028
flat angles C4'-P-C4' energy: -11.800
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -7.698
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: 8
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -88.787280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.787280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.787280 (E_RNA)
where:
Base-Base interactions energy: -30.464
where: short stacking energy: -30.464
Base-Backbone interact. energy: -0.378
local terms energy: -57.944714
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -19.342
flat angles C4'-P-C4' energy: -15.634
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -3.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -258.889031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.889031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.889031 (E_RNA)
where:
Base-Base interactions energy: -183.568
where: short stacking energy: -65.996
Base-Backbone interact. energy: 0.260
local terms energy: -75.580348
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -15.325
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -17.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -249.207529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.207529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.207529 (E_RNA)
where:
Base-Base interactions energy: -172.775
where: short stacking energy: -60.876
Base-Backbone interact. energy: -0.436
local terms energy: -75.996439
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -9.722
tors. eta vs tors. theta energy: -16.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -237.166525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.166525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.166525 (E_RNA)
where:
Base-Base interactions energy: -159.278
where: short stacking energy: -70.185
Base-Backbone interact. energy: -0.962
local terms energy: -76.925872
where:
bonds (distance) C4'-P energy: -19.544
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -12.413
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -17.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -174.126581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.126581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.126581 (E_RNA)
where:
Base-Base interactions energy: -113.587
where: short stacking energy: -56.043
Base-Backbone interact. energy: -1.798
local terms energy: -58.742010
where:
bonds (distance) C4'-P energy: -10.943
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -9.644
tors. eta vs tors. theta energy: -8.546
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: 309
Temperature: 1.100000
Total energy: -218.414821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.414821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.414821 (E_RNA)
where:
Base-Base interactions energy: -147.936
where: short stacking energy: -70.457
Base-Backbone interact. energy: 0.475
local terms energy: -70.954529
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -15.914
flat angles P-C4'-P energy: -8.605
tors. eta vs tors. theta energy: -15.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -190.162987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.162987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.162987 (E_RNA)
where:
Base-Base interactions energy: -124.273
where: short stacking energy: -48.061
Base-Backbone interact. energy: -0.069
local terms energy: -65.821118
where:
bonds (distance) C4'-P energy: -16.123
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -14.912
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -102.502371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.502371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.502371 (E_RNA)
where:
Base-Base interactions energy: -45.070
where: short stacking energy: -32.419
Base-Backbone interact. energy: -0.165
local terms energy: -57.266968
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -14.176
flat angles C4'-P-C4' energy: -12.575
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -3.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -90.964117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.964117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.964117 (E_RNA)
where:
Base-Base interactions energy: -40.371
where: short stacking energy: -36.658
Base-Backbone interact. energy: -0.156
local terms energy: -50.437639
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -10.297
flat angles P-C4'-P energy: -8.776
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -96.726184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.726184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.726184 (E_RNA)
where:
Base-Base interactions energy: -47.149
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.475
local terms energy: -49.101879
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -15.388
flat angles C4'-P-C4' energy: -12.447
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: 2.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -92.028478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.028478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.028478 (E_RNA)
where:
Base-Base interactions energy: -43.745
where: short stacking energy: -26.618
Base-Backbone interact. energy: -0.079
local terms energy: -48.203990
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -10.550
flat angles P-C4'-P energy: -7.550
tors. eta vs tors. theta energy: -0.002
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: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -254.416150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.416150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.416150 (E_RNA)
where:
Base-Base interactions energy: -176.367
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.471
local terms energy: -77.578568
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -13.692
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -16.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -253.096288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.096288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.096288 (E_RNA)
where:
Base-Base interactions energy: -180.935
where: short stacking energy: -70.714
Base-Backbone interact. energy: -0.602
local terms energy: -71.559447
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -12.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -236.193946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.193946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.193946 (E_RNA)
where:
Base-Base interactions energy: -164.823
where: short stacking energy: -68.474
Base-Backbone interact. energy: 2.014
local terms energy: -73.384911
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -15.436
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: 1
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -203.624218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.624218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.624218 (E_RNA)
where:
Base-Base interactions energy: -129.947
where: short stacking energy: -55.088
Base-Backbone interact. energy: -0.093
local terms energy: -73.583778
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -16.694
flat angles C4'-P-C4' energy: -12.491
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -15.524
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: 310
Temperature: 1.100000
Total energy: -221.040421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.040421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.040421 (E_RNA)
where:
Base-Base interactions energy: -151.260
where: short stacking energy: -66.437
Base-Backbone interact. energy: -0.269
local terms energy: -69.511736
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -10.491
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -155.495271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.495271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.495271 (E_RNA)
where:
Base-Base interactions energy: -102.633
where: short stacking energy: -53.093
Base-Backbone interact. energy: -0.382
local terms energy: -52.480267
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -7.707
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -82.985941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.985941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.985941 (E_RNA)
where:
Base-Base interactions energy: -27.642
where: short stacking energy: -27.642
Base-Backbone interact. energy: -0.154
local terms energy: -55.189396
where:
bonds (distance) C4'-P energy: -11.978
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -4.307
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: 8, replica: 3
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -90.955625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.955625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.955625 (E_RNA)
where:
Base-Base interactions energy: -38.392
where: short stacking energy: -33.477
Base-Backbone interact. energy: -0.045
local terms energy: -52.518346
where:
bonds (distance) C4'-P energy: -12.166
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -6.495
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: 9, replica: 8
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -86.366928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.366928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.366928 (E_RNA)
where:
Base-Base interactions energy: -31.932
where: short stacking energy: -31.932
Base-Backbone interact. energy: -0.301
local terms energy: -54.133695
where:
bonds (distance) C4'-P energy: -6.859
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -14.484
tors. eta vs tors. theta energy: -2.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -85.241412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.241412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.241412 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -17.269
Base-Backbone interact. energy: -0.290
local terms energy: -48.464606
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -16.826
flat angles C4'-P-C4' energy: -10.792
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: 1.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -255.421943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.421943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.421943 (E_RNA)
where:
Base-Base interactions energy: -182.118
where: short stacking energy: -68.480
Base-Backbone interact. energy: 0.766
local terms energy: -74.069903
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -10.374
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: 2, replica: 9
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -236.916361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.916361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.916361 (E_RNA)
where:
Base-Base interactions energy: -153.845
where: short stacking energy: -65.407
Base-Backbone interact. energy: -0.386
local terms energy: -82.685313
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -16.748
flat angles P-C4'-P energy: -14.108
tors. eta vs tors. theta energy: -19.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -243.102576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.102576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.102576 (E_RNA)
where:
Base-Base interactions energy: -168.362
where: short stacking energy: -67.694
Base-Backbone interact. energy: -0.351
local terms energy: -74.390103
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.695
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: 4, replica: 6
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -240.253540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.253540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.253540 (E_RNA)
where:
Base-Base interactions energy: -163.159
where: short stacking energy: -69.567
Base-Backbone interact. energy: -0.155
local terms energy: -76.940248
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.663
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -21.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -186.606072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.606072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.606072 (E_RNA)
where:
Base-Base interactions energy: -120.509
where: short stacking energy: -68.041
Base-Backbone interact. energy: -0.009
local terms energy: -66.087770
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -12.392
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -3.492
tors. eta vs tors. theta energy: -19.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -166.291281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.291281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.291281 (E_RNA)
where:
Base-Base interactions energy: -103.826
where: short stacking energy: -47.777
Base-Backbone interact. energy: -0.053
local terms energy: -62.412689
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -14.566
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -10.364
tors. eta vs tors. theta energy: -11.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -105.053733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.053733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.053733 (E_RNA)
where:
Base-Base interactions energy: -46.635
where: short stacking energy: -35.157
Base-Backbone interact. energy: -0.202
local terms energy: -58.217035
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -11.238
flat angles P-C4'-P energy: -6.300
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -98.637936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.637936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.637936 (E_RNA)
where:
Base-Base interactions energy: -41.382
where: short stacking energy: -41.382
Base-Backbone interact. energy: -0.270
local terms energy: -56.985820
where:
bonds (distance) C4'-P energy: -13.680
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -6.379
tors. eta vs tors. theta energy: -3.366
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: 9, replica: 3
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -81.637271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.637271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.637271 (E_RNA)
where:
Base-Base interactions energy: -27.176
where: short stacking energy: -24.399
Base-Backbone interact. energy: -0.055
local terms energy: -54.406554
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -0.350
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: 10, replica: 5
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -88.487328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.487328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.487328 (E_RNA)
where:
Base-Base interactions energy: -31.635
where: short stacking energy: -20.626
Base-Backbone interact. energy: -0.852
local terms energy: -55.999650
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.136
tors. eta vs tors. theta energy: 2.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -254.184204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184204 (E_RNA)
where:
Base-Base interactions energy: -174.021
where: short stacking energy: -74.057
Base-Backbone interact. energy: -0.096
local terms energy: -80.066787
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -18.967
flat angles P-C4'-P energy: -12.873
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: 2, replica: 9
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -237.807679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.807679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.807679 (E_RNA)
where:
Base-Base interactions energy: -161.932
where: short stacking energy: -71.880
Base-Backbone interact. energy: -0.441
local terms energy: -75.435065
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -15.219
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -237.332981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.332981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.332981 (E_RNA)
where:
Base-Base interactions energy: -159.744
where: short stacking energy: -69.296
Base-Backbone interact. energy: -0.369
local terms energy: -77.219902
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -17.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -241.779852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.779852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.779852 (E_RNA)
where:
Base-Base interactions energy: -174.327
where: short stacking energy: -66.343
Base-Backbone interact. energy: -0.349
local terms energy: -67.103740
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -15.062
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: 7
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -171.821081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.821081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.821081 (E_RNA)
where:
Base-Base interactions energy: -100.136
where: short stacking energy: -48.019
Base-Backbone interact. energy: -0.367
local terms energy: -71.317924
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -12.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -166.426588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.426588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.426588 (E_RNA)
where:
Base-Base interactions energy: -98.808
where: short stacking energy: -60.385
Base-Backbone interact. energy: -0.111
local terms energy: -67.507589
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -15.537
flat angles C4'-P-C4' energy: -15.344
flat angles P-C4'-P energy: -13.409
tors. eta vs tors. theta energy: -12.006
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: 10
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -111.432871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.432871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.432871 (E_RNA)
where:
Base-Base interactions energy: -53.390
where: short stacking energy: -43.968
Base-Backbone interact. energy: -0.463
local terms energy: -57.579205
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -13.059
flat angles P-C4'-P energy: -7.603
tors. eta vs tors. theta energy: -5.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -110.115864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.115864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.115864 (E_RNA)
where:
Base-Base interactions energy: -46.060
where: short stacking energy: -41.443
Base-Backbone interact. energy: 0.470
local terms energy: -64.525448
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -12.041
flat angles P-C4'-P energy: -12.080
tors. eta vs tors. theta energy: -7.188
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: 5
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -90.995032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.995032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.995032 (E_RNA)
where:
Base-Base interactions energy: -46.655
where: short stacking energy: -20.659
Base-Backbone interact. energy: 0.019
local terms energy: -44.358862
where:
bonds (distance) C4'-P energy: -7.761
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -10.777
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: 1.149
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: 10, replica: 3
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -77.118693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.118693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.118693 (E_RNA)
where:
Base-Base interactions energy: -33.270
where: short stacking energy: -24.040
Base-Backbone interact. energy: -0.673
local terms energy: -43.176321
where:
bonds (distance) C4'-P energy: -12.676
bonds (distance) P-C4' energy: -9.365
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -6.195
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: 2
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -251.931621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.931621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.931621 (E_RNA)
where:
Base-Base interactions energy: -168.690
where: short stacking energy: -72.267
Base-Backbone interact. energy: -0.277
local terms energy: -82.965030
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -14.698
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -19.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -244.201040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.201040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.201040 (E_RNA)
where:
Base-Base interactions energy: -166.520
where: short stacking energy: -64.600
Base-Backbone interact. energy: 0.477
local terms energy: -78.158256
where:
bonds (distance) C4'-P energy: -17.184
bonds (distance) P-C4' energy: -14.069
flat angles C4'-P-C4' energy: -18.295
flat angles P-C4'-P energy: -12.570
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: 3, replica: 6
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -230.547113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.547113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.547113 (E_RNA)
where:
Base-Base interactions energy: -161.962
where: short stacking energy: -66.781
Base-Backbone interact. energy: -0.065
local terms energy: -68.519299
where:
bonds (distance) C4'-P energy: -13.452
bonds (distance) P-C4' energy: -16.482
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -17.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -234.221370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.221370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.221370 (E_RNA)
where:
Base-Base interactions energy: -162.993
where: short stacking energy: -65.316
Base-Backbone interact. energy: -0.345
local terms energy: -70.883943
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -9.611
tors. eta vs tors. theta energy: -13.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -194.206810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.206810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.206810 (E_RNA)
where:
Base-Base interactions energy: -123.014
where: short stacking energy: -64.425
Base-Backbone interact. energy: -0.164
local terms energy: -71.028782
where:
bonds (distance) C4'-P energy: -11.665
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -8.051
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: 1
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -170.887626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.887626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.887626 (E_RNA)
where:
Base-Base interactions energy: -111.877
where: short stacking energy: -55.292
Base-Backbone interact. energy: -0.089
local terms energy: -58.921353
where:
bonds (distance) C4'-P energy: -10.566
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -14.042
flat angles P-C4'-P energy: -8.899
tors. eta vs tors. theta energy: -12.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -91.075245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.075245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.075245 (E_RNA)
where:
Base-Base interactions energy: -28.997
where: short stacking energy: -28.672
Base-Backbone interact. energy: -0.411
local terms energy: -61.666785
where:
bonds (distance) C4'-P energy: -12.701
bonds (distance) P-C4' energy: -15.988
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -10.484
tors. eta vs tors. theta energy: -4.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -149.182883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.182883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.182883 (E_RNA)
where:
Base-Base interactions energy: -92.439
where: short stacking energy: -45.478
Base-Backbone interact. energy: -0.272
local terms energy: -56.471752
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -14.559
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -5.059
tors. eta vs tors. theta energy: -10.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -84.876347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.876347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.876347 (E_RNA)
where:
Base-Base interactions energy: -29.726
where: short stacking energy: -25.709
Base-Backbone interact. energy: -0.101
local terms energy: -55.049083
where:
bonds (distance) C4'-P energy: -16.729
bonds (distance) P-C4' energy: -14.260
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -1.206
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: 10, replica: 3
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -102.573893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.573893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.573893 (E_RNA)
where:
Base-Base interactions energy: -56.088
where: short stacking energy: -31.764
Base-Backbone interact. energy: -0.103
local terms energy: -46.383108
where:
bonds (distance) C4'-P energy: -11.962
bonds (distance) P-C4' energy: -9.989
flat angles C4'-P-C4' energy: -12.977
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -3.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -250.341377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.341377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.341377 (E_RNA)
where:
Base-Base interactions energy: -174.789
where: short stacking energy: -67.040
Base-Backbone interact. energy: -0.615
local terms energy: -74.937421
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -15.808
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -16.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -251.710573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.710573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.710573 (E_RNA)
where:
Base-Base interactions energy: -169.263
where: short stacking energy: -70.494
Base-Backbone interact. energy: -0.789
local terms energy: -81.659484
where:
bonds (distance) C4'-P energy: -9.741
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -21.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -251.021576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.021576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.021576 (E_RNA)
where:
Base-Base interactions energy: -180.402
where: short stacking energy: -64.438
Base-Backbone interact. energy: -0.575
local terms energy: -70.044257
where:
bonds (distance) C4'-P energy: -17.772
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -14.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -230.141311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.141311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.141311 (E_RNA)
where:
Base-Base interactions energy: -154.469
where: short stacking energy: -67.725
Base-Backbone interact. energy: -0.254
local terms energy: -75.418112
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -17.166
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -13.634
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: 5, replica: 1
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -195.811781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.811781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.811781 (E_RNA)
where:
Base-Base interactions energy: -119.162
where: short stacking energy: -56.070
Base-Backbone interact. energy: -0.477
local terms energy: -76.172977
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -14.849
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: -12.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -177.441294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.441294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.441294 (E_RNA)
where:
Base-Base interactions energy: -112.265
where: short stacking energy: -58.826
Base-Backbone interact. energy: -0.571
local terms energy: -64.605405
where:
bonds (distance) C4'-P energy: -12.548
bonds (distance) P-C4' energy: -16.182
flat angles C4'-P-C4' energy: -14.775
flat angles P-C4'-P energy: -5.876
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: 7, replica: 5
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -151.112921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.112921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.112921 (E_RNA)
where:
Base-Base interactions energy: -80.200
where: short stacking energy: -42.277
Base-Backbone interact. energy: -0.186
local terms energy: -70.726730
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -14.951
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -12.118
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: 10
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -106.922981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.922981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.922981 (E_RNA)
where:
Base-Base interactions energy: -48.760
where: short stacking energy: -46.019
Base-Backbone interact. energy: 0.651
local terms energy: -58.814075
where:
bonds (distance) C4'-P energy: -11.321
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -8.150
flat angles P-C4'-P energy: -11.817
tors. eta vs tors. theta energy: -13.694
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: 3
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -96.610071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.610071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.610071 (E_RNA)
where:
Base-Base interactions energy: -47.994
where: short stacking energy: -30.635
Base-Backbone interact. energy: -0.403
local terms energy: -48.212666
where:
bonds (distance) C4'-P energy: -8.761
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -4.254
tors. eta vs tors. theta energy: -2.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -91.503241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.503241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.503241 (E_RNA)
where:
Base-Base interactions energy: -39.765
where: short stacking energy: -27.630
Base-Backbone interact. energy: -0.214
local terms energy: -51.523286
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -12.519
flat angles C4'-P-C4' energy: -10.618
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -251.339032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.339032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.339032 (E_RNA)
where:
Base-Base interactions energy: -175.165
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.485
local terms energy: -75.689002
where:
bonds (distance) C4'-P energy: -13.155
bonds (distance) P-C4' energy: -15.510
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -11.649
tors. eta vs tors. theta energy: -14.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -240.764783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.764783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.764783 (E_RNA)
where:
Base-Base interactions energy: -167.026
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.396
local terms energy: -73.342783
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -14.682
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -14.059
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: 3, replica: 2
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -239.522826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.522826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.522826 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -75.713
Base-Backbone interact. energy: -0.334
local terms energy: -64.926041
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -10.813
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -7.127
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -227.891665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.891665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.891665 (E_RNA)
where:
Base-Base interactions energy: -157.342
where: short stacking energy: -57.199
Base-Backbone interact. energy: 0.332
local terms energy: -70.881819
where:
bonds (distance) C4'-P energy: -13.757
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -14.085
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -15.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -190.691585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.691585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.691585 (E_RNA)
where:
Base-Base interactions energy: -119.072
where: short stacking energy: -66.635
Base-Backbone interact. energy: 1.332
local terms energy: -72.952348
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -17.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -144.394481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.394481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.394481 (E_RNA)
where:
Base-Base interactions energy: -85.347
where: short stacking energy: -35.041
Base-Backbone interact. energy: 0.324
local terms energy: -59.371247
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -10.183
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -181.137925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.137925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.137925 (E_RNA)
where:
Base-Base interactions energy: -110.883
where: short stacking energy: -55.609
Base-Backbone interact. energy: -0.018
local terms energy: -70.237327
where:
bonds (distance) C4'-P energy: -13.967
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -7.352
tors. eta vs tors. theta energy: -16.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -99.288983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.288983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.288983 (E_RNA)
where:
Base-Base interactions energy: -42.032
where: short stacking energy: -34.065
Base-Backbone interact. energy: -0.252
local terms energy: -57.005626
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -9.450
flat angles P-C4'-P energy: -8.877
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -87.996966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.996966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.996966 (E_RNA)
where:
Base-Base interactions energy: -33.048
where: short stacking energy: -29.684
Base-Backbone interact. energy: -0.042
local terms energy: -54.906865
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -11.547
flat angles P-C4'-P energy: -8.066
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: 10, replica: 8
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -86.681339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.681339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.681339 (E_RNA)
where:
Base-Base interactions energy: -31.728
where: short stacking energy: -31.728
Base-Backbone interact. energy: -0.033
local terms energy: -54.920836
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -7.741
flat angles P-C4'-P energy: -12.115
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: 1, replica: 4
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -239.531343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.531343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.531343 (E_RNA)
where:
Base-Base interactions energy: -165.305
where: short stacking energy: -68.063
Base-Backbone interact. energy: -0.031
local terms energy: -74.194997
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -13.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -248.683234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.683234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.683234 (E_RNA)
where:
Base-Base interactions energy: -179.923
where: short stacking energy: -69.129
Base-Backbone interact. energy: -0.472
local terms energy: -68.288125
where:
bonds (distance) C4'-P energy: -13.078
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -11.756
flat angles P-C4'-P energy: -11.482
tors. eta vs tors. theta energy: -14.476
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: 3, replica: 2
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -239.295228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.295228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.295228 (E_RNA)
where:
Base-Base interactions energy: -158.878
where: short stacking energy: -67.198
Base-Backbone interact. energy: -1.769
local terms energy: -78.648284
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -16.640
flat angles P-C4'-P energy: -10.658
tors. eta vs tors. theta energy: -18.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -229.454370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.454370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.454370 (E_RNA)
where:
Base-Base interactions energy: -157.251
where: short stacking energy: -61.238
Base-Backbone interact. energy: -0.341
local terms energy: -71.862009
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -13.806
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -14.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -160.347269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.347269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.347269 (E_RNA)
where:
Base-Base interactions energy: -92.962
where: short stacking energy: -48.587
Base-Backbone interact. energy: -0.167
local terms energy: -67.217885
where:
bonds (distance) C4'-P energy: -15.424
bonds (distance) P-C4' energy: -15.816
flat angles C4'-P-C4' energy: -14.344
flat angles P-C4'-P energy: -11.415
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -176.406599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.406599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.406599 (E_RNA)
where:
Base-Base interactions energy: -107.607
where: short stacking energy: -50.743
Base-Backbone interact. energy: -0.053
local terms energy: -68.746120
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -14.857
flat angles P-C4'-P energy: -6.279
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: 7, replica: 7
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -164.074907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.074907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.074907 (E_RNA)
where:
Base-Base interactions energy: -101.507
where: short stacking energy: -40.166
Base-Backbone interact. energy: -0.135
local terms energy: -62.432657
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -9.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -94.144206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.144206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.144206 (E_RNA)
where:
Base-Base interactions energy: -45.732
where: short stacking energy: -29.856
Base-Backbone interact. energy: -1.096
local terms energy: -47.316782
where:
bonds (distance) C4'-P energy: -18.069
bonds (distance) P-C4' energy: -16.768
flat angles C4'-P-C4' energy: -5.113
flat angles P-C4'-P energy: -4.909
tors. eta vs tors. theta energy: -2.458
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: 9, replica: 8
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -88.857781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.857781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.857781 (E_RNA)
where:
Base-Base interactions energy: -33.712
where: short stacking energy: -24.532
Base-Backbone interact. energy: -0.054
local terms energy: -55.092201
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -91.603504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.603504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.603504 (E_RNA)
where:
Base-Base interactions energy: -33.814
where: short stacking energy: -23.744
Base-Backbone interact. energy: -0.225
local terms energy: -57.564665
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -10.774
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -8.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -248.090417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.090417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.090417 (E_RNA)
where:
Base-Base interactions energy: -177.166
where: short stacking energy: -67.192
Base-Backbone interact. energy: 0.532
local terms energy: -71.456170
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -14.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -239.516418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.516418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.516418 (E_RNA)
where:
Base-Base interactions energy: -166.870
where: short stacking energy: -57.730
Base-Backbone interact. energy: -0.388
local terms energy: -72.258585
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.429
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -12.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -248.723718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.723718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.723718 (E_RNA)
where:
Base-Base interactions energy: -167.403
where: short stacking energy: -65.758
Base-Backbone interact. energy: -0.026
local terms energy: -81.294389
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: -18.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -232.257530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.257530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.257530 (E_RNA)
where:
Base-Base interactions energy: -161.452
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.231
local terms energy: -70.574609
where:
bonds (distance) C4'-P energy: -10.855
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -17.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -158.857046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.857046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.857046 (E_RNA)
where:
Base-Base interactions energy: -93.703
where: short stacking energy: -42.921
Base-Backbone interact. energy: -1.232
local terms energy: -63.922451
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -19.619
flat angles C4'-P-C4' energy: -11.893
flat angles P-C4'-P energy: -12.072
tors. eta vs tors. theta energy: -6.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -174.690991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.690991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.690991 (E_RNA)
where:
Base-Base interactions energy: -106.131
where: short stacking energy: -51.144
Base-Backbone interact. energy: -0.198
local terms energy: -68.362717
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -7.995
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -174.079464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.079464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.079464 (E_RNA)
where:
Base-Base interactions energy: -106.373
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.004
local terms energy: -67.702402
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -14.702
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -15.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -90.909380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.909380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.909380 (E_RNA)
where:
Base-Base interactions energy: -34.418
where: short stacking energy: -31.360
Base-Backbone interact. energy: -0.137
local terms energy: -56.354698
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -11.021
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -5.470
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: 317
Temperature: 1.300000
Total energy: -112.527284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.527284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.527284 (E_RNA)
where:
Base-Base interactions energy: -60.516
where: short stacking energy: -31.141
Base-Backbone interact. energy: -0.149
local terms energy: -51.862096
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -76.943403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.943403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.943403 (E_RNA)
where:
Base-Base interactions energy: -23.179
where: short stacking energy: -23.179
Base-Backbone interact. energy: 0.314
local terms energy: -54.079378
where:
bonds (distance) C4'-P energy: -13.164
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -15.007
flat angles P-C4'-P energy: -9.795
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: 1, replica: 4
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -254.652476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.652476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.652476 (E_RNA)
where:
Base-Base interactions energy: -175.102
where: short stacking energy: -68.764
Base-Backbone interact. energy: 1.453
local terms energy: -81.003851
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -14.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -245.788875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.788875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.788875 (E_RNA)
where:
Base-Base interactions energy: -168.696
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.181
local terms energy: -76.911663
where:
bonds (distance) C4'-P energy: -9.623
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -18.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -233.040604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.040604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.040604 (E_RNA)
where:
Base-Base interactions energy: -150.958
where: short stacking energy: -71.201
Base-Backbone interact. energy: -0.100
local terms energy: -81.982784
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -14.027
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: 4, replica: 9
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -227.930465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.930465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.930465 (E_RNA)
where:
Base-Base interactions energy: -152.883
where: short stacking energy: -56.609
Base-Backbone interact. energy: -1.098
local terms energy: -73.949883
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -199.078243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.078243 (E_RNA)
where:
Base-Base interactions energy: -130.004
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.052
local terms energy: -69.022802
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -17.860
flat angles C4'-P-C4' energy: -18.402
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -12.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -144.397071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.397071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.397071 (E_RNA)
where:
Base-Base interactions energy: -83.782
where: short stacking energy: -43.138
Base-Backbone interact. energy: -0.833
local terms energy: -59.781822
where:
bonds (distance) C4'-P energy: -12.555
bonds (distance) P-C4' energy: -13.601
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: -10.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -168.345331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.345331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.345331 (E_RNA)
where:
Base-Base interactions energy: -112.235
where: short stacking energy: -58.757
Base-Backbone interact. energy: -0.584
local terms energy: -55.525981
where:
bonds (distance) C4'-P energy: -12.282
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -5.537
tors. eta vs tors. theta energy: -11.114
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: 3
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -127.267554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.267554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.267554 (E_RNA)
where:
Base-Base interactions energy: -69.023
where: short stacking energy: -38.243
Base-Backbone interact. energy: 1.334
local terms energy: -59.578933
where:
bonds (distance) C4'-P energy: -11.670
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -12.825
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: 9, replica: 8
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -103.456859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.456859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.456859 (E_RNA)
where:
Base-Base interactions energy: -58.443
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.032
local terms energy: -44.982548
where:
bonds (distance) C4'-P energy: -10.212
bonds (distance) P-C4' energy: -8.384
flat angles C4'-P-C4' energy: -15.478
flat angles P-C4'-P energy: -7.175
tors. eta vs tors. theta energy: -3.734
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: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -77.887967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.887967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.887967 (E_RNA)
where:
Base-Base interactions energy: -29.794
where: short stacking energy: -29.794
Base-Backbone interact. energy: -0.136
local terms energy: -47.957613
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -7.184
tors. eta vs tors. theta energy: -2.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -258.941865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.941865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.941865 (E_RNA)
where:
Base-Base interactions energy: -181.644
where: short stacking energy: -67.552
Base-Backbone interact. energy: -0.460
local terms energy: -76.837902
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -16.455
flat angles C4'-P-C4' energy: -15.041
flat angles P-C4'-P energy: -12.957
tors. eta vs tors. theta energy: -14.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -239.577384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.577384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.577384 (E_RNA)
where:
Base-Base interactions energy: -167.629
where: short stacking energy: -67.778
Base-Backbone interact. energy: -0.200
local terms energy: -71.748459
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.911
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -13.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -231.253885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.253885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.253885 (E_RNA)
where:
Base-Base interactions energy: -146.046
where: short stacking energy: -73.248
Base-Backbone interact. energy: -0.661
local terms energy: -84.546908
where:
bonds (distance) C4'-P energy: -19.643
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -14.169
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: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -205.638580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.638580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.638580 (E_RNA)
where:
Base-Base interactions energy: -135.937
where: short stacking energy: -64.316
Base-Backbone interact. energy: -0.025
local terms energy: -69.676483
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -13.920
tors. eta vs tors. theta energy: -13.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -217.499869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.499869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.499869 (E_RNA)
where:
Base-Base interactions energy: -151.977
where: short stacking energy: -54.538
Base-Backbone interact. energy: -1.059
local terms energy: -64.464354
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -14.617
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -13.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -182.483967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.483967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.483967 (E_RNA)
where:
Base-Base interactions energy: -105.240
where: short stacking energy: -50.401
Base-Backbone interact. energy: -0.093
local terms energy: -77.150271
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -13.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -152.048005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.048005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.048005 (E_RNA)
where:
Base-Base interactions energy: -87.960
where: short stacking energy: -52.013
Base-Backbone interact. energy: 0.696
local terms energy: -64.784536
where:
bonds (distance) C4'-P energy: -14.747
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -15.949
flat angles P-C4'-P energy: -4.881
tors. eta vs tors. theta energy: -13.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -91.935768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.935768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.935768 (E_RNA)
where:
Base-Base interactions energy: -43.470
where: short stacking energy: -34.622
Base-Backbone interact. energy: -0.232
local terms energy: -48.234115
where:
bonds (distance) C4'-P energy: -10.225
bonds (distance) P-C4' energy: -11.287
flat angles C4'-P-C4' energy: -12.397
flat angles P-C4'-P energy: -8.342
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -91.698303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.698303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.698303 (E_RNA)
where:
Base-Base interactions energy: -34.277
where: short stacking energy: -31.717
Base-Backbone interact. energy: 0.034
local terms energy: -57.455824
where:
bonds (distance) C4'-P energy: -9.982
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -10.845
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -9.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -77.912820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.912820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.912820 (E_RNA)
where:
Base-Base interactions energy: -21.187
where: short stacking energy: -20.909
Base-Backbone interact. energy: 0.255
local terms energy: -56.981301
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -7.281
tors. eta vs tors. theta energy: -4.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -255.500787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.500787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.500787 (E_RNA)
where:
Base-Base interactions energy: -175.576
where: short stacking energy: -65.273
Base-Backbone interact. energy: -0.389
local terms energy: -79.536043
where:
bonds (distance) C4'-P energy: -14.671
bonds (distance) P-C4' energy: -15.181
flat angles C4'-P-C4' energy: -19.297
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -17.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -240.667227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.667227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.667227 (E_RNA)
where:
Base-Base interactions energy: -160.693
where: short stacking energy: -74.605
Base-Backbone interact. energy: -1.687
local terms energy: -78.286979
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -20.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -234.806794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.806794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.806794 (E_RNA)
where:
Base-Base interactions energy: -161.817
where: short stacking energy: -74.442
Base-Backbone interact. energy: -0.320
local terms energy: -72.669784
where:
bonds (distance) C4'-P energy: -12.396
bonds (distance) P-C4' energy: -12.932
flat angles C4'-P-C4' energy: -17.076
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -19.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -194.493622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.493622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.493622 (E_RNA)
where:
Base-Base interactions energy: -124.202
where: short stacking energy: -67.888
Base-Backbone interact. energy: -0.005
local terms energy: -70.286522
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -13.414
flat angles P-C4'-P energy: -9.089
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: 9
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -227.482485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.482485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.482485 (E_RNA)
where:
Base-Base interactions energy: -158.439
where: short stacking energy: -67.449
Base-Backbone interact. energy: 0.135
local terms energy: -69.178056
where:
bonds (distance) C4'-P energy: -12.917
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -17.789
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -14.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -184.318407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.318407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.318407 (E_RNA)
where:
Base-Base interactions energy: -115.417
where: short stacking energy: -53.418
Base-Backbone interact. energy: -0.118
local terms energy: -68.783349
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -14.153
flat angles P-C4'-P energy: -12.023
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: 7, replica: 5
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -158.706060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.706060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.706060 (E_RNA)
where:
Base-Base interactions energy: -98.322
where: short stacking energy: -49.757
Base-Backbone interact. energy: -0.157
local terms energy: -60.226764
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -11.836
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -8.942
tors. eta vs tors. theta energy: -11.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -114.250597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.250597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.250597 (E_RNA)
where:
Base-Base interactions energy: -62.209
where: short stacking energy: -37.030
Base-Backbone interact. energy: -0.008
local terms energy: -52.033371
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -9.881
flat angles C4'-P-C4' energy: -8.707
flat angles P-C4'-P energy: -11.218
tors. eta vs tors. theta energy: -9.497
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: 9, replica: 10
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -88.813636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.813636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.813636 (E_RNA)
where:
Base-Base interactions energy: -34.870
where: short stacking energy: -35.070
Base-Backbone interact. energy: -0.141
local terms energy: -53.802192
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -10.949
flat angles P-C4'-P energy: -9.680
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: 10, replica: 3
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -87.729440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.729440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.729440 (E_RNA)
where:
Base-Base interactions energy: -35.564
where: short stacking energy: -35.564
Base-Backbone interact. energy: -0.185
local terms energy: -51.980288
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -10.767
flat angles P-C4'-P energy: -5.016
tors. eta vs tors. theta energy: -7.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -252.554597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.554597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.554597 (E_RNA)
where:
Base-Base interactions energy: -183.395
where: short stacking energy: -66.457
Base-Backbone interact. energy: 1.748
local terms energy: -70.907919
where:
bonds (distance) C4'-P energy: -13.715
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -14.245
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: 2, replica: 6
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -236.586482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.586482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.586482 (E_RNA)
where:
Base-Base interactions energy: -154.257
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.062
local terms energy: -82.267505
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -233.609125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.609125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.609125 (E_RNA)
where:
Base-Base interactions energy: -154.846
where: short stacking energy: -70.354
Base-Backbone interact. energy: -0.077
local terms energy: -78.686529
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -16.443
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -16.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -211.988964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.988964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.988964 (E_RNA)
where:
Base-Base interactions energy: -145.473
where: short stacking energy: -59.344
Base-Backbone interact. energy: 0.192
local terms energy: -66.708200
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -7.911
tors. eta vs tors. theta energy: -15.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -187.129455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.129455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.129455 (E_RNA)
where:
Base-Base interactions energy: -120.998
where: short stacking energy: -49.119
Base-Backbone interact. energy: -0.050
local terms energy: -66.081510
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -14.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -179.862638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.862638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.862638 (E_RNA)
where:
Base-Base interactions energy: -111.534
where: short stacking energy: -56.096
Base-Backbone interact. energy: -0.733
local terms energy: -67.595778
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -10.698
flat angles C4'-P-C4' energy: -17.270
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -13.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -112.526339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.526339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.526339 (E_RNA)
where:
Base-Base interactions energy: -60.346
where: short stacking energy: -46.674
Base-Backbone interact. energy: -0.038
local terms energy: -52.142801
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -10.939
flat angles C4'-P-C4' energy: -7.215
flat angles P-C4'-P energy: -6.941
tors. eta vs tors. theta energy: -8.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -87.825836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.825836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.825836 (E_RNA)
where:
Base-Base interactions energy: -33.278
where: short stacking energy: -29.104
Base-Backbone interact. energy: -0.211
local terms energy: -54.336821
where:
bonds (distance) C4'-P energy: -13.488
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.980
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: 0.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -99.579299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.579299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.579299 (E_RNA)
where:
Base-Base interactions energy: -44.918
where: short stacking energy: -20.758
Base-Backbone interact. energy: -0.100
local terms energy: -54.561963
where:
bonds (distance) C4'-P energy: -15.573
bonds (distance) P-C4' energy: -13.607
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -9.060
tors. eta vs tors. theta energy: 0.223
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: 3
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -82.615489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.615489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.615489 (E_RNA)
where:
Base-Base interactions energy: -29.882
where: short stacking energy: -27.143
Base-Backbone interact. energy: 0.975
local terms energy: -53.708507
where:
bonds (distance) C4'-P energy: -13.975
bonds (distance) P-C4' energy: -16.418
flat angles C4'-P-C4' energy: -9.036
flat angles P-C4'-P energy: -10.186
tors. eta vs tors. theta energy: -4.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -235.322983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.322983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.322983 (E_RNA)
where:
Base-Base interactions energy: -160.478
where: short stacking energy: -51.469
Base-Backbone interact. energy: -0.376
local terms energy: -74.468661
where:
bonds (distance) C4'-P energy: -17.186
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -14.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -250.608110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.608110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.608110 (E_RNA)
where:
Base-Base interactions energy: -176.541
where: short stacking energy: -67.685
Base-Backbone interact. energy: 0.455
local terms energy: -74.522102
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -10.738
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -16.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -235.086308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.086308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.086308 (E_RNA)
where:
Base-Base interactions energy: -168.138
where: short stacking energy: -68.264
Base-Backbone interact. energy: -0.405
local terms energy: -66.543975
where:
bonds (distance) C4'-P energy: -11.847
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -17.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -195.222464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.222464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.222464 (E_RNA)
where:
Base-Base interactions energy: -126.141
where: short stacking energy: -46.705
Base-Backbone interact. energy: -0.355
local terms energy: -68.726246
where:
bonds (distance) C4'-P energy: -11.215
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -194.494906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.494906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.494906 (E_RNA)
where:
Base-Base interactions energy: -116.728
where: short stacking energy: -56.227
Base-Backbone interact. energy: -0.331
local terms energy: -77.436074
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.642
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -16.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -178.065495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.065495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.065495 (E_RNA)
where:
Base-Base interactions energy: -115.395
where: short stacking energy: -60.671
Base-Backbone interact. energy: -0.004
local terms energy: -62.666653
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -12.478
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -3.313
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: 10
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -103.761879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.761879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.761879 (E_RNA)
where:
Base-Base interactions energy: -48.762
where: short stacking energy: -42.460
Base-Backbone interact. energy: 0.340
local terms energy: -55.340069
where:
bonds (distance) C4'-P energy: -13.189
bonds (distance) P-C4' energy: -17.115
flat angles C4'-P-C4' energy: -15.090
flat angles P-C4'-P energy: -6.322
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -85.330954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.330954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.330954 (E_RNA)
where:
Base-Base interactions energy: -30.695
where: short stacking energy: -30.016
Base-Backbone interact. energy: 0.528
local terms energy: -55.163484
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -15.730
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: 1.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -96.355523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.355523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.355523 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -27.757
Base-Backbone interact. energy: -0.205
local terms energy: -61.946721
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -14.374
flat angles P-C4'-P energy: -7.661
tors. eta vs tors. theta energy: -8.057
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: 3
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -87.523310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.523310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.523310 (E_RNA)
where:
Base-Base interactions energy: -31.746
where: short stacking energy: -31.746
Base-Backbone interact. energy: -0.083
local terms energy: -55.693836
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -5.046
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -8.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -245.599801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.599801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.599801 (E_RNA)
where:
Base-Base interactions energy: -164.748
where: short stacking energy: -71.763
Base-Backbone interact. energy: -0.262
local terms energy: -80.589899
where:
bonds (distance) C4'-P energy: -16.762
bonds (distance) P-C4' energy: -13.981
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -21.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -246.037468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.037468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.037468 (E_RNA)
where:
Base-Base interactions energy: -176.044
where: short stacking energy: -68.038
Base-Backbone interact. energy: 0.221
local terms energy: -70.214855
where:
bonds (distance) C4'-P energy: -14.568
bonds (distance) P-C4' energy: -13.008
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -11.269
tors. eta vs tors. theta energy: -15.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -246.759711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.759711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.759711 (E_RNA)
where:
Base-Base interactions energy: -169.434
where: short stacking energy: -72.375
Base-Backbone interact. energy: -0.025
local terms energy: -77.300740
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -18.099
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -19.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -212.643907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.643907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.643907 (E_RNA)
where:
Base-Base interactions energy: -148.722
where: short stacking energy: -56.115
Base-Backbone interact. energy: 0.862
local terms energy: -64.783996
where:
bonds (distance) C4'-P energy: -11.913
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -10.833
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: 5, replica: 7
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -191.718121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.718121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.718121 (E_RNA)
where:
Base-Base interactions energy: -119.732
where: short stacking energy: -54.147
Base-Backbone interact. energy: -0.161
local terms energy: -71.825345
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -16.932
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -6.344
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: 6, replica: 1
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -163.972995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.972995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.972995 (E_RNA)
where:
Base-Base interactions energy: -91.548
where: short stacking energy: -52.497
Base-Backbone interact. energy: -0.343
local terms energy: -72.081491
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -12.275
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: 10
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -101.745233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.745233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.745233 (E_RNA)
where:
Base-Base interactions energy: -42.161
where: short stacking energy: -37.292
Base-Backbone interact. energy: -0.039
local terms energy: -59.544513
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -11.089
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -6.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -93.482648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.482648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.482648 (E_RNA)
where:
Base-Base interactions energy: -36.664
where: short stacking energy: -36.664
Base-Backbone interact. energy: -0.029
local terms energy: -56.789792
where:
bonds (distance) C4'-P energy: -12.271
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.654
flat angles P-C4'-P energy: -6.995
tors. eta vs tors. theta energy: -4.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -88.831010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.831010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.831010 (E_RNA)
where:
Base-Base interactions energy: -30.945
where: short stacking energy: -30.945
Base-Backbone interact. energy: -1.015
local terms energy: -56.871358
where:
bonds (distance) C4'-P energy: -13.670
bonds (distance) P-C4' energy: -13.237
flat angles C4'-P-C4' energy: -11.738
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -80.889959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.889959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.889959 (E_RNA)
where:
Base-Base interactions energy: -30.208
where: short stacking energy: -30.208
Base-Backbone interact. energy: -0.195
local terms energy: -50.487290
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: 2.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -246.059891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.059891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.059891 (E_RNA)
where:
Base-Base interactions energy: -169.993
where: short stacking energy: -74.519
Base-Backbone interact. energy: -0.353
local terms energy: -75.713101
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -20.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -243.121682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.121682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.121682 (E_RNA)
where:
Base-Base interactions energy: -172.551
where: short stacking energy: -67.051
Base-Backbone interact. energy: -0.240
local terms energy: -70.330806
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -13.075
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -13.196
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: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -243.940706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.940706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.940706 (E_RNA)
where:
Base-Base interactions energy: -166.199
where: short stacking energy: -70.793
Base-Backbone interact. energy: -0.113
local terms energy: -77.628334
where:
bonds (distance) C4'-P energy: -15.562
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -17.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -235.993013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.993013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.993013 (E_RNA)
where:
Base-Base interactions energy: -153.877
where: short stacking energy: -72.019
Base-Backbone interact. energy: 0.367
local terms energy: -82.482619
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -189.340139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.340139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.340139 (E_RNA)
where:
Base-Base interactions energy: -116.896
where: short stacking energy: -61.823
Base-Backbone interact. energy: -0.165
local terms energy: -72.279805
where:
bonds (distance) C4'-P energy: -15.060
bonds (distance) P-C4' energy: -16.125
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -9.343
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: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -173.742248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.742248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.742248 (E_RNA)
where:
Base-Base interactions energy: -108.414
where: short stacking energy: -44.663
Base-Backbone interact. energy: 0.314
local terms energy: -65.642369
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -19.017
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -7.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -94.264468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.264468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.264468 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -32.055
Base-Backbone interact. energy: -0.111
local terms energy: -58.729996
where:
bonds (distance) C4'-P energy: -13.798
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -12.178
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: 8, replica: 10
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -100.890122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.890122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.890122 (E_RNA)
where:
Base-Base interactions energy: -48.706
where: short stacking energy: -42.436
Base-Backbone interact. energy: -0.076
local terms energy: -52.108323
where:
bonds (distance) C4'-P energy: -9.502
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -11.316
flat angles P-C4'-P energy: -5.759
tors. eta vs tors. theta energy: -6.990
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: 3
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -92.028312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.028312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.028312 (E_RNA)
where:
Base-Base interactions energy: -34.988
where: short stacking energy: -21.981
Base-Backbone interact. energy: -1.516
local terms energy: -55.523980
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: -11.124
tors. eta vs tors. theta energy: -2.729
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: 324
Temperature: 1.350000
Total energy: -88.033877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.033877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.033877 (E_RNA)
where:
Base-Base interactions energy: -36.455
where: short stacking energy: -28.919
Base-Backbone interact. energy: 0.777
local terms energy: -52.355714
where:
bonds (distance) C4'-P energy: -13.351
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -11.643
flat angles P-C4'-P energy: -8.012
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: 4
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -246.081848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.081848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.081848 (E_RNA)
where:
Base-Base interactions energy: -165.236
where: short stacking energy: -71.532
Base-Backbone interact. energy: -0.224
local terms energy: -80.621579
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -15.676
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -21.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -249.953631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.953631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.953631 (E_RNA)
where:
Base-Base interactions energy: -179.991
where: short stacking energy: -78.019
Base-Backbone interact. energy: -0.222
local terms energy: -69.740996
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -9.747
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: 3, replica: 6
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -238.502270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.502270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.502270 (E_RNA)
where:
Base-Base interactions energy: -160.126
where: short stacking energy: -70.645
Base-Backbone interact. energy: -0.548
local terms energy: -77.828255
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -15.861
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -233.229247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.229247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.229247 (E_RNA)
where:
Base-Base interactions energy: -153.893
where: short stacking energy: -74.302
Base-Backbone interact. energy: 0.326
local terms energy: -79.662514
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -7.561
tors. eta vs tors. theta energy: -21.628
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: 325
Temperature: 1.100000
Total energy: -175.227129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.227129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.227129 (E_RNA)
where:
Base-Base interactions energy: -106.285
where: short stacking energy: -47.643
Base-Backbone interact. energy: -0.023
local terms energy: -68.919514
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -18.229
flat angles P-C4'-P energy: -6.933
tors. eta vs tors. theta energy: -11.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -156.365263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.365263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.365263 (E_RNA)
where:
Base-Base interactions energy: -97.994
where: short stacking energy: -51.755
Base-Backbone interact. energy: -1.053
local terms energy: -57.318425
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -14.203
flat angles P-C4'-P energy: -5.909
tors. eta vs tors. theta energy: -11.850
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: 325
Temperature: 1.200000
Total energy: -92.893498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.893498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.893498 (E_RNA)
where:
Base-Base interactions energy: -33.798
where: short stacking energy: -31.171
Base-Backbone interact. energy: -0.019
local terms energy: -59.075880
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -15.140
flat angles C4'-P-C4' energy: -16.549
flat angles P-C4'-P energy: -7.962
tors. eta vs tors. theta energy: -4.732
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: 10
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -90.611297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.611297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.611297 (E_RNA)
where:
Base-Base interactions energy: -27.823
where: short stacking energy: -27.823
Base-Backbone interact. energy: -0.082
local terms energy: -62.706525
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -12.434
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -88.439453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.439453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.439453 (E_RNA)
where:
Base-Base interactions energy: -33.055
where: short stacking energy: -20.209
Base-Backbone interact. energy: -0.237
local terms energy: -55.147821
where:
bonds (distance) C4'-P energy: -12.204
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -0.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -98.541108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.541108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.541108 (E_RNA)
where:
Base-Base interactions energy: -37.721
where: short stacking energy: -20.792
Base-Backbone interact. energy: -0.183
local terms energy: -60.636962
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -17.225
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: 2.922
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: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -260.153655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.153655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.153655 (E_RNA)
where:
Base-Base interactions energy: -181.049
where: short stacking energy: -76.436
Base-Backbone interact. energy: -0.781
local terms energy: -78.323129
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -9.928
tors. eta vs tors. theta energy: -18.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -241.494778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.494778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.494778 (E_RNA)
where:
Base-Base interactions energy: -162.528
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.436
local terms energy: -78.531044
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -21.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -229.825312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.825312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.825312 (E_RNA)
where:
Base-Base interactions energy: -155.298
where: short stacking energy: -77.362
Base-Backbone interact. energy: -0.336
local terms energy: -74.192290
where:
bonds (distance) C4'-P energy: -13.143
bonds (distance) P-C4' energy: -16.983
flat angles C4'-P-C4' energy: -16.467
flat angles P-C4'-P energy: -9.968
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -227.070514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.070514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.070514 (E_RNA)
where:
Base-Base interactions energy: -146.462
where: short stacking energy: -63.131
Base-Backbone interact. energy: -0.480
local terms energy: -80.128906
where:
bonds (distance) C4'-P energy: -15.794
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -13.219
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: 5, replica: 1
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -192.661444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.661444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.661444 (E_RNA)
where:
Base-Base interactions energy: -129.244
where: short stacking energy: -59.173
Base-Backbone interact. energy: -0.077
local terms energy: -63.340524
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -169.471803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.471803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.471803 (E_RNA)
where:
Base-Base interactions energy: -97.748
where: short stacking energy: -50.063
Base-Backbone interact. energy: -0.245
local terms energy: -71.478257
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -17.370
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -11.384
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: 7, replica: 10
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -93.040467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.040467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.040467 (E_RNA)
where:
Base-Base interactions energy: -31.645
where: short stacking energy: -26.332
Base-Backbone interact. energy: -0.347
local terms energy: -61.048307
where:
bonds (distance) C4'-P energy: -18.381
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: 0.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -108.230805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.230805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.230805 (E_RNA)
where:
Base-Base interactions energy: -51.124
where: short stacking energy: -33.459
Base-Backbone interact. energy: -0.202
local terms energy: -56.904751
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -11.298
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -5.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -96.532209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.532209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.532209 (E_RNA)
where:
Base-Base interactions energy: -42.852
where: short stacking energy: -31.285
Base-Backbone interact. energy: -0.089
local terms energy: -53.591053
where:
bonds (distance) C4'-P energy: -15.531
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -14.932
flat angles P-C4'-P energy: -2.987
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: 10, replica: 3
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -79.229761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.229761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.229761 (E_RNA)
where:
Base-Base interactions energy: -28.993
where: short stacking energy: -20.421
Base-Backbone interact. energy: -0.113
local terms energy: -50.123327
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: 6.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -254.291349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.291349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.291349 (E_RNA)
where:
Base-Base interactions energy: -174.368
where: short stacking energy: -70.445
Base-Backbone interact. energy: -0.130
local terms energy: -79.793207
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -17.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -244.988452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.988452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.988452 (E_RNA)
where:
Base-Base interactions energy: -164.904
where: short stacking energy: -71.659
Base-Backbone interact. energy: 0.125
local terms energy: -80.209804
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -21.291
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: 327
Temperature: 1.000000
Total energy: -235.825544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.825544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.825544 (E_RNA)
where:
Base-Base interactions energy: -154.903
where: short stacking energy: -59.531
Base-Backbone interact. energy: -0.101
local terms energy: -80.821724
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -19.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -214.930205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.930205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.930205 (E_RNA)
where:
Base-Base interactions energy: -142.047
where: short stacking energy: -58.952
Base-Backbone interact. energy: -0.560
local terms energy: -72.323933
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -14.249
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -15.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -176.369327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.369327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.369327 (E_RNA)
where:
Base-Base interactions energy: -112.385
where: short stacking energy: -38.811
Base-Backbone interact. energy: -0.213
local terms energy: -63.771820
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -16.336
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -10.238
tors. eta vs tors. theta energy: -7.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -161.017932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.017932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.017932 (E_RNA)
where:
Base-Base interactions energy: -90.785
where: short stacking energy: -51.864
Base-Backbone interact. energy: 0.469
local terms energy: -70.701906
where:
bonds (distance) C4'-P energy: -14.531
bonds (distance) P-C4' energy: -13.965
flat angles C4'-P-C4' energy: -14.901
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -91.709601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.709601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.709601 (E_RNA)
where:
Base-Base interactions energy: -34.867
where: short stacking energy: -21.838
Base-Backbone interact. energy: -0.335
local terms energy: -56.507113
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -18.419
flat angles C4'-P-C4' energy: -11.425
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: 1.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -105.063790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.063790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.063790 (E_RNA)
where:
Base-Base interactions energy: -52.386
where: short stacking energy: -26.074
Base-Backbone interact. energy: -0.083
local terms energy: -52.594985
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -11.532
flat angles C4'-P-C4' energy: -13.018
flat angles P-C4'-P energy: -8.447
tors. eta vs tors. theta energy: -3.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -88.302356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.302356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.302356 (E_RNA)
where:
Base-Base interactions energy: -30.633
where: short stacking energy: -29.629
Base-Backbone interact. energy: -0.172
local terms energy: -57.496977
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -13.265
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -5.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -83.332530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.332530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.332530 (E_RNA)
where:
Base-Base interactions energy: -24.242
where: short stacking energy: -22.716
Base-Backbone interact. energy: -0.477
local terms energy: -58.613165
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -9.733
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: 1, replica: 6
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -248.560434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.560434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.560434 (E_RNA)
where:
Base-Base interactions energy: -168.650
where: short stacking energy: -79.734
Base-Backbone interact. energy: 0.170
local terms energy: -80.080683
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -18.703
flat angles P-C4'-P energy: -9.899
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -249.380935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.380935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.380935 (E_RNA)
where:
Base-Base interactions energy: -170.705
where: short stacking energy: -70.985
Base-Backbone interact. energy: -0.071
local terms energy: -78.605101
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -16.649
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -17.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -248.716453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.716453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.716453 (E_RNA)
where:
Base-Base interactions energy: -167.192
where: short stacking energy: -74.117
Base-Backbone interact. energy: -0.834
local terms energy: -80.690854
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -228.690939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.690939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.690939 (E_RNA)
where:
Base-Base interactions energy: -156.557
where: short stacking energy: -65.419
Base-Backbone interact. energy: -0.249
local terms energy: -71.884677
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -14.757
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -17.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -179.627536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.627536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.627536 (E_RNA)
where:
Base-Base interactions energy: -107.957
where: short stacking energy: -56.200
Base-Backbone interact. energy: -0.745
local terms energy: -70.925598
where:
bonds (distance) C4'-P energy: -14.260
bonds (distance) P-C4' energy: -19.007
flat angles C4'-P-C4' energy: -13.716
flat angles P-C4'-P energy: -8.106
tors. eta vs tors. theta energy: -15.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -164.617334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.617334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.617334 (E_RNA)
where:
Base-Base interactions energy: -96.193
where: short stacking energy: -54.213
Base-Backbone interact. energy: -1.082
local terms energy: -67.342157
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.115
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -9.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -100.415189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.415189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.415189 (E_RNA)
where:
Base-Base interactions energy: -34.284
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.222
local terms energy: -65.909611
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -3.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -94.496995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.496995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.496995 (E_RNA)
where:
Base-Base interactions energy: -39.308
where: short stacking energy: -35.950
Base-Backbone interact. energy: -0.199
local terms energy: -54.990046
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -14.624
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: -5.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -86.915570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.915570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.915570 (E_RNA)
where:
Base-Base interactions energy: -28.327
where: short stacking energy: -25.505
Base-Backbone interact. energy: -0.982
local terms energy: -57.606771
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -5.818
tors. eta vs tors. theta energy: 0.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -85.397002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.397002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.397002 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -27.101
Base-Backbone interact. energy: 0.391
local terms energy: -58.687117
where:
bonds (distance) C4'-P energy: -17.432
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -8.679
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -7.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -248.178264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.178264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.178264 (E_RNA)
where:
Base-Base interactions energy: -170.209
where: short stacking energy: -76.445
Base-Backbone interact. energy: 0.491
local terms energy: -78.460623
where:
bonds (distance) C4'-P energy: -13.895
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.339
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -17.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -245.307608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.307608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.307608 (E_RNA)
where:
Base-Base interactions energy: -167.427
where: short stacking energy: -68.242
Base-Backbone interact. energy: -0.178
local terms energy: -77.702723
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -17.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -246.388946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.388946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.388946 (E_RNA)
where:
Base-Base interactions energy: -172.425
where: short stacking energy: -63.870
Base-Backbone interact. energy: -0.349
local terms energy: -73.615470
where:
bonds (distance) C4'-P energy: -11.604
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -234.365900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.365900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.365900 (E_RNA)
where:
Base-Base interactions energy: -158.879
where: short stacking energy: -71.078
Base-Backbone interact. energy: -0.225
local terms energy: -75.261851
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -18.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -176.421860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.421860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.421860 (E_RNA)
where:
Base-Base interactions energy: -107.267
where: short stacking energy: -61.303
Base-Backbone interact. energy: -0.011
local terms energy: -69.143459
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -10.640
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: 6, replica: 7
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -192.125328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.125328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.125328 (E_RNA)
where:
Base-Base interactions energy: -125.962
where: short stacking energy: -69.998
Base-Backbone interact. energy: -1.573
local terms energy: -64.590744
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -10.306
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -109.699791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.699791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.699791 (E_RNA)
where:
Base-Base interactions energy: -50.251
where: short stacking energy: -50.251
Base-Backbone interact. energy: -0.003
local terms energy: -59.444884
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -10.688
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -11.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -87.612804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.612804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.612804 (E_RNA)
where:
Base-Base interactions energy: -43.873
where: short stacking energy: -43.873
Base-Backbone interact. energy: -0.076
local terms energy: -43.664225
where:
bonds (distance) C4'-P energy: -1.394
bonds (distance) P-C4' energy: -14.830
flat angles C4'-P-C4' energy: -13.210
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -6.025
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: 329
Temperature: 1.300000
Total energy: -86.617938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.617938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.617938 (E_RNA)
where:
Base-Base interactions energy: -40.023
where: short stacking energy: -34.156
Base-Backbone interact. energy: 0.522
local terms energy: -47.117079
where:
bonds (distance) C4'-P energy: -11.113
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -13.779
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -0.027
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: 329
Temperature: 1.350000
Total energy: -83.900202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.900202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.900202 (E_RNA)
where:
Base-Base interactions energy: -38.918
where: short stacking energy: -34.230
Base-Backbone interact. energy: -0.006
local terms energy: -44.975637
where:
bonds (distance) C4'-P energy: -12.431
bonds (distance) P-C4' energy: -13.287
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: 0.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -249.829701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.829701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.829701 (E_RNA)
where:
Base-Base interactions energy: -172.863
where: short stacking energy: -63.589
Base-Backbone interact. energy: -0.909
local terms energy: -76.058654
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -246.010063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.010063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.010063 (E_RNA)
where:
Base-Base interactions energy: -166.696
where: short stacking energy: -76.237
Base-Backbone interact. energy: -0.607
local terms energy: -78.706686
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -17.316
flat angles P-C4'-P energy: -10.980
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -238.720901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.720901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.720901 (E_RNA)
where:
Base-Base interactions energy: -158.332
where: short stacking energy: -60.435
Base-Backbone interact. energy: -0.210
local terms energy: -80.178594
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -13.861
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: 4, replica: 9
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -227.657056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.657056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.657056 (E_RNA)
where:
Base-Base interactions energy: -153.349
where: short stacking energy: -64.407
Base-Backbone interact. energy: 1.021
local terms energy: -75.328190
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.224
flat angles P-C4'-P energy: -8.957
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: 5, replica: 7
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -161.723503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.723503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.723503 (E_RNA)
where:
Base-Base interactions energy: -92.024
where: short stacking energy: -43.947
Base-Backbone interact. energy: -0.514
local terms energy: -69.185520
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -9.288
tors. eta vs tors. theta energy: -6.899
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: 330
Temperature: 1.150000
Total energy: -175.680687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.680687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.680687 (E_RNA)
where:
Base-Base interactions energy: -113.278
where: short stacking energy: -52.291
Base-Backbone interact. energy: 0.067
local terms energy: -62.469735
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -13.477
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -8.189
tors. eta vs tors. theta energy: -10.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -105.483285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.483285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.483285 (E_RNA)
where:
Base-Base interactions energy: -47.778
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.050
local terms energy: -57.655750
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -12.480
flat angles P-C4'-P energy: -8.907
tors. eta vs tors. theta energy: -6.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -94.124484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.124484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.124484 (E_RNA)
where:
Base-Base interactions energy: -47.478
where: short stacking energy: -29.480
Base-Backbone interact. energy: -0.160
local terms energy: -46.486116
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -9.310
flat angles P-C4'-P energy: -8.442
tors. eta vs tors. theta energy: 0.230
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: 8
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -89.848952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.848952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.848952 (E_RNA)
where:
Base-Base interactions energy: -29.639
where: short stacking energy: -24.528
Base-Backbone interact. energy: -0.319
local terms energy: -59.891226
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.193
flat angles C4'-P-C4' energy: -10.603
flat angles P-C4'-P energy: -14.947
tors. eta vs tors. theta energy: -1.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -81.846641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.846641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.846641 (E_RNA)
where:
Base-Base interactions energy: -29.640
where: short stacking energy: -24.034
Base-Backbone interact. energy: 0.603
local terms energy: -52.810040
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -12.896
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -12.458
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -253.339142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.339142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.339142 (E_RNA)
where:
Base-Base interactions energy: -173.749
where: short stacking energy: -66.684
Base-Backbone interact. energy: -0.152
local terms energy: -79.438658
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -18.033
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -17.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -249.542714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.542714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.542714 (E_RNA)
where:
Base-Base interactions energy: -166.542
where: short stacking energy: -72.664
Base-Backbone interact. energy: -0.558
local terms energy: -82.442795
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -15.684
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -17.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -239.303483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.303483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.303483 (E_RNA)
where:
Base-Base interactions energy: -174.016
where: short stacking energy: -64.607
Base-Backbone interact. energy: -0.283
local terms energy: -65.004593
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.638
flat angles P-C4'-P energy: -8.718
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: 4, replica: 9
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -225.669695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.669695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.669695 (E_RNA)
where:
Base-Base interactions energy: -158.862
where: short stacking energy: -62.060
Base-Backbone interact. energy: -0.425
local terms energy: -66.382576
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -15.148
flat angles C4'-P-C4' energy: -10.481
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -13.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -176.021522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.021522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.021522 (E_RNA)
where:
Base-Base interactions energy: -109.246
where: short stacking energy: -37.553
Base-Backbone interact. energy: 0.214
local terms energy: -66.989442
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.005
flat angles C4'-P-C4' energy: -18.036
flat angles P-C4'-P energy: -11.030
tors. eta vs tors. theta energy: -4.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -185.243530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.243530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.243530 (E_RNA)
where:
Base-Base interactions energy: -110.985
where: short stacking energy: -52.641
Base-Backbone interact. energy: -0.005
local terms energy: -74.253066
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -14.739
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -15.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -91.404734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.404734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.404734 (E_RNA)
where:
Base-Base interactions energy: -40.753
where: short stacking energy: -36.466
Base-Backbone interact. energy: -0.358
local terms energy: -50.294451
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -13.768
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -0.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -93.026803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.026803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.026803 (E_RNA)
where:
Base-Base interactions energy: -36.746
where: short stacking energy: -36.699
Base-Backbone interact. energy: -0.040
local terms energy: -56.241679
where:
bonds (distance) C4'-P energy: -15.777
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -7.230
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -4.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -84.745101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.745101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.745101 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -30.385
Base-Backbone interact. energy: -0.204
local terms energy: -53.477042
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -79.891379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.891379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.891379 (E_RNA)
where:
Base-Base interactions energy: -30.401
where: short stacking energy: -30.801
Base-Backbone interact. energy: -0.513
local terms energy: -48.978040
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -14.385
flat angles C4'-P-C4' energy: -14.582
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: 0.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -246.105538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.105538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.105538 (E_RNA)
where:
Base-Base interactions energy: -165.685
where: short stacking energy: -80.347
Base-Backbone interact. energy: -0.228
local terms energy: -80.193021
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.263
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -20.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -255.738003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.738003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.738003 (E_RNA)
where:
Base-Base interactions energy: -174.732
where: short stacking energy: -65.195
Base-Backbone interact. energy: -0.141
local terms energy: -80.865266
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -14.407
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -18.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -224.396193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.396193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.396193 (E_RNA)
where:
Base-Base interactions energy: -152.200
where: short stacking energy: -55.038
Base-Backbone interact. energy: -1.301
local terms energy: -70.895183
where:
bonds (distance) C4'-P energy: -15.714
bonds (distance) P-C4' energy: -12.953
flat angles C4'-P-C4' energy: -16.869
flat angles P-C4'-P energy: -8.426
tors. eta vs tors. theta energy: -16.934
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: 4, replica: 6
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -243.883684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.883684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.883684 (E_RNA)
where:
Base-Base interactions energy: -172.400
where: short stacking energy: -66.899
Base-Backbone interact. energy: -0.643
local terms energy: -70.840605
where:
bonds (distance) C4'-P energy: -14.362
bonds (distance) P-C4' energy: -16.394
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -12.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -176.210187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.210187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.210187 (E_RNA)
where:
Base-Base interactions energy: -113.660
where: short stacking energy: -70.963
Base-Backbone interact. energy: -0.213
local terms energy: -62.337866
where:
bonds (distance) C4'-P energy: -12.627
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -13.451
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -14.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -165.594395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.594395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.594395 (E_RNA)
where:
Base-Base interactions energy: -95.985
where: short stacking energy: -44.279
Base-Backbone interact. energy: -0.379
local terms energy: -69.230417
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -12.114
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: 7, replica: 3
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -99.170464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.170464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.170464 (E_RNA)
where:
Base-Base interactions energy: -46.883
where: short stacking energy: -26.760
Base-Backbone interact. energy: -1.575
local terms energy: -50.712864
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -5.875
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: 8, replica: 8
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -92.410001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.410001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.410001 (E_RNA)
where:
Base-Base interactions energy: -30.630
where: short stacking energy: -27.754
Base-Backbone interact. energy: -0.106
local terms energy: -61.674072
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -12.307
flat angles P-C4'-P energy: -9.514
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: 9, replica: 5
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -92.788347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.788347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.788347 (E_RNA)
where:
Base-Base interactions energy: -38.523
where: short stacking energy: -26.698
Base-Backbone interact. energy: -1.718
local terms energy: -52.546981
where:
bonds (distance) C4'-P energy: -11.438
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: 2.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -79.013215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.013215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.013215 (E_RNA)
where:
Base-Base interactions energy: -26.849
where: short stacking energy: -21.929
Base-Backbone interact. energy: -1.388
local terms energy: -50.776130
where:
bonds (distance) C4'-P energy: -14.381
bonds (distance) P-C4' energy: -16.415
flat angles C4'-P-C4' energy: -16.145
flat angles P-C4'-P energy: -4.602
tors. eta vs tors. theta energy: 0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -241.328274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.328274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.328274 (E_RNA)
where:
Base-Base interactions energy: -163.194
where: short stacking energy: -74.880
Base-Backbone interact. energy: -0.265
local terms energy: -77.869607
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -254.978280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.978280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.978280 (E_RNA)
where:
Base-Base interactions energy: -178.731
where: short stacking energy: -63.895
Base-Backbone interact. energy: -0.435
local terms energy: -75.812023
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -18.358
flat angles P-C4'-P energy: -7.711
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: 3, replica: 9
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -242.256177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.256177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.256177 (E_RNA)
where:
Base-Base interactions energy: -156.365
where: short stacking energy: -65.405
Base-Backbone interact. energy: -0.479
local terms energy: -85.411873
where:
bonds (distance) C4'-P energy: -13.156
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -242.189465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.189465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.189465 (E_RNA)
where:
Base-Base interactions energy: -176.292
where: short stacking energy: -64.892
Base-Backbone interact. energy: -1.530
local terms energy: -64.367263
where:
bonds (distance) C4'-P energy: -13.412
bonds (distance) P-C4' energy: -10.462
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -6.170
tors. eta vs tors. theta energy: -15.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -194.456526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.456526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.456526 (E_RNA)
where:
Base-Base interactions energy: -128.021
where: short stacking energy: -64.423
Base-Backbone interact. energy: -0.436
local terms energy: -65.999569
where:
bonds (distance) C4'-P energy: -11.529
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -17.721
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: 6, replica: 3
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -129.341085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.341085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.341085 (E_RNA)
where:
Base-Base interactions energy: -60.906
where: short stacking energy: -45.993
Base-Backbone interact. energy: -0.031
local terms energy: -68.403590
where:
bonds (distance) C4'-P energy: -12.105
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -9.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -151.630531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.630531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.630531 (E_RNA)
where:
Base-Base interactions energy: -83.071
where: short stacking energy: -43.517
Base-Backbone interact. energy: -0.808
local terms energy: -67.752139
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -13.698
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -12.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -95.489218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.489218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.489218 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -35.350
Base-Backbone interact. energy: -0.023
local terms energy: -59.338104
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -19.038
flat angles C4'-P-C4' energy: -11.406
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -5.851
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: 8
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -84.222794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.222794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.222794 (E_RNA)
where:
Base-Base interactions energy: -29.027
where: short stacking energy: -29.027
Base-Backbone interact. energy: 0.384
local terms energy: -55.579750
where:
bonds (distance) C4'-P energy: -14.607
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -12.135
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -7.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -82.123892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.123892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.123892 (E_RNA)
where:
Base-Base interactions energy: -38.493
where: short stacking energy: -25.744
Base-Backbone interact. energy: 0.029
local terms energy: -43.659992
where:
bonds (distance) C4'-P energy: -9.952
bonds (distance) P-C4' energy: -12.793
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -5.052
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: 334
Temperature: 0.900000
Total energy: -253.773693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.773693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.773693 (E_RNA)
where:
Base-Base interactions energy: -173.251
where: short stacking energy: -67.944
Base-Backbone interact. energy: -0.600
local terms energy: -79.922656
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -15.325
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -15.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -241.233072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.233072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.233072 (E_RNA)
where:
Base-Base interactions energy: -159.604
where: short stacking energy: -75.825
Base-Backbone interact. energy: -0.496
local terms energy: -81.133271
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -13.837
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -15.041
tors. eta vs tors. theta energy: -21.342
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: 6
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -237.015625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.015625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.015625 (E_RNA)
where:
Base-Base interactions energy: -169.946
where: short stacking energy: -61.236
Base-Backbone interact. energy: -0.300
local terms energy: -66.769471
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -8.470
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -229.819856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.819856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.819856 (E_RNA)
where:
Base-Base interactions energy: -150.626
where: short stacking energy: -70.515
Base-Backbone interact. energy: 0.448
local terms energy: -79.642501
where:
bonds (distance) C4'-P energy: -13.446
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -22.544
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: 1
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -182.693287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.693287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.693287 (E_RNA)
where:
Base-Base interactions energy: -115.436
where: short stacking energy: -44.151
Base-Backbone interact. energy: -0.097
local terms energy: -67.159993
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -11.993
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: 334
Temperature: 1.150000
Total energy: -96.281827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.281827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.281827 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -25.847
Base-Backbone interact. energy: -0.584
local terms energy: -53.094051
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -6.244
tors. eta vs tors. theta energy: -2.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -148.280528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.280528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.280528 (E_RNA)
where:
Base-Base interactions energy: -89.408
where: short stacking energy: -43.497
Base-Backbone interact. energy: -0.526
local terms energy: -58.346338
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -14.225
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -9.319
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: 8, replica: 5
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -105.350073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.350073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.350073 (E_RNA)
where:
Base-Base interactions energy: -57.245
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.092
local terms energy: -48.013803
where:
bonds (distance) C4'-P energy: -13.557
bonds (distance) P-C4' energy: -8.783
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -9.399
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: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -90.433744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.433744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.433744 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -28.167
Base-Backbone interact. energy: -0.030
local terms energy: -54.715555
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -8.712
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: -4.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -83.489454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.489454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.489454 (E_RNA)
where:
Base-Base interactions energy: -29.722
where: short stacking energy: -29.722
Base-Backbone interact. energy: -1.329
local terms energy: -52.438466
where:
bonds (distance) C4'-P energy: -17.920
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -4.457
tors. eta vs tors. theta energy: -0.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -265.826235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.826235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.826235 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.543
local terms energy: -82.618754
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -16.440
flat angles P-C4'-P energy: -13.177
tors. eta vs tors. theta energy: -19.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -242.307938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.307938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.307938 (E_RNA)
where:
Base-Base interactions energy: -161.329
where: short stacking energy: -79.292
Base-Backbone interact. energy: -0.438
local terms energy: -80.541557
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -16.273
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -20.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -238.309062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.309062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.309062 (E_RNA)
where:
Base-Base interactions energy: -171.533
where: short stacking energy: -69.156
Base-Backbone interact. energy: -0.301
local terms energy: -66.475150
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -15.168
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -9.456
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: 4, replica: 9
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -227.326464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.326464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.326464 (E_RNA)
where:
Base-Base interactions energy: -155.230
where: short stacking energy: -66.808
Base-Backbone interact. energy: -0.477
local terms energy: -71.620059
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -11.049
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -11.831
tors. eta vs tors. theta energy: -17.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -175.315918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.315918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.315918 (E_RNA)
where:
Base-Base interactions energy: -112.600
where: short stacking energy: -44.476
Base-Backbone interact. energy: -0.235
local terms energy: -62.481112
where:
bonds (distance) C4'-P energy: -11.873
bonds (distance) P-C4' energy: -14.750
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -13.264
tors. eta vs tors. theta energy: -6.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -165.108362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.108362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.108362 (E_RNA)
where:
Base-Base interactions energy: -91.800
where: short stacking energy: -51.824
Base-Backbone interact. energy: -0.020
local terms energy: -73.288222
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -16.381
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -13.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -103.224951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.224951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.224951 (E_RNA)
where:
Base-Base interactions energy: -45.299
where: short stacking energy: -43.474
Base-Backbone interact. energy: -0.048
local terms energy: -57.877946
where:
bonds (distance) C4'-P energy: -13.604
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -12.788
flat angles P-C4'-P energy: -8.764
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: 5
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -105.223289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.223289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.223289 (E_RNA)
where:
Base-Base interactions energy: -43.617
where: short stacking energy: -35.466
Base-Backbone interact. energy: -1.232
local terms energy: -60.373789
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -93.662117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.662117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.662117 (E_RNA)
where:
Base-Base interactions energy: -34.607
where: short stacking energy: -33.156
Base-Backbone interact. energy: -0.418
local terms energy: -58.637914
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -10.128
flat angles P-C4'-P energy: -11.177
tors. eta vs tors. theta energy: -4.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -82.729445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.729445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.729445 (E_RNA)
where:
Base-Base interactions energy: -23.962
where: short stacking energy: -18.954
Base-Backbone interact. energy: 1.777
local terms energy: -60.543851
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -18.430
flat angles P-C4'-P energy: -9.645
tors. eta vs tors. theta energy: -1.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -251.680540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.680540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.680540 (E_RNA)
where:
Base-Base interactions energy: -175.281
where: short stacking energy: -72.443
Base-Backbone interact. energy: 1.134
local terms energy: -77.533253
where:
bonds (distance) C4'-P energy: -11.868
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -19.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -225.670633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.670633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.670633 (E_RNA)
where:
Base-Base interactions energy: -155.307
where: short stacking energy: -70.550
Base-Backbone interact. energy: -0.075
local terms energy: -70.287733
where:
bonds (distance) C4'-P energy: -13.098
bonds (distance) P-C4' energy: -13.560
flat angles C4'-P-C4' energy: -17.231
flat angles P-C4'-P energy: -11.330
tors. eta vs tors. theta energy: -15.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -240.325837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.325837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.325837 (E_RNA)
where:
Base-Base interactions energy: -160.871
where: short stacking energy: -67.146
Base-Backbone interact. energy: -0.705
local terms energy: -78.749915
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -8.993
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: 6
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -247.485543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.485543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.485543 (E_RNA)
where:
Base-Base interactions energy: -176.205
where: short stacking energy: -74.107
Base-Backbone interact. energy: -0.520
local terms energy: -70.760747
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -17.148
flat angles C4'-P-C4' energy: -14.419
flat angles P-C4'-P energy: -11.238
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: 5, replica: 1
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -182.226460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.226460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.226460 (E_RNA)
where:
Base-Base interactions energy: -113.543
where: short stacking energy: -61.420
Base-Backbone interact. energy: -0.276
local terms energy: -68.407386
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -14.936
flat angles P-C4'-P energy: -13.248
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: 6, replica: 7
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -177.651317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.651317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.651317 (E_RNA)
where:
Base-Base interactions energy: -107.190
where: short stacking energy: -52.237
Base-Backbone interact. energy: -0.086
local terms energy: -70.375353
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -9.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -103.091741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.091741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.091741 (E_RNA)
where:
Base-Base interactions energy: -46.643
where: short stacking energy: -46.643
Base-Backbone interact. energy: -0.125
local terms energy: -56.324144
where:
bonds (distance) C4'-P energy: -10.114
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: -7.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -92.452442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.452442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.452442 (E_RNA)
where:
Base-Base interactions energy: -41.501
where: short stacking energy: -35.874
Base-Backbone interact. energy: -0.025
local terms energy: -50.926908
where:
bonds (distance) C4'-P energy: -9.715
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -5.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -82.036549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.036549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.036549 (E_RNA)
where:
Base-Base interactions energy: -25.863
where: short stacking energy: -25.863
Base-Backbone interact. energy: 0.142
local terms energy: -56.314656
where:
bonds (distance) C4'-P energy: -14.644
bonds (distance) P-C4' energy: -14.784
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -5.855
tors. eta vs tors. theta energy: -4.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -84.618789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.618789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.618789 (E_RNA)
where:
Base-Base interactions energy: -31.163
where: short stacking energy: -30.499
Base-Backbone interact. energy: -1.385
local terms energy: -52.070146
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -11.788
flat angles C4'-P-C4' energy: -12.677
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -260.484369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.484369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.484369 (E_RNA)
where:
Base-Base interactions energy: -183.530
where: short stacking energy: -77.688
Base-Backbone interact. energy: -0.042
local terms energy: -76.911515
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -16.316
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -12.760
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: 2, replica: 9
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -242.660202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.660202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.660202 (E_RNA)
where:
Base-Base interactions energy: -159.009
where: short stacking energy: -71.423
Base-Backbone interact. energy: 2.010
local terms energy: -85.661347
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -14.560
tors. eta vs tors. theta energy: -22.972
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: 337
Temperature: 1.000000
Total energy: -223.733918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.733918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.733918 (E_RNA)
where:
Base-Base interactions energy: -152.427
where: short stacking energy: -64.572
Base-Backbone interact. energy: -0.444
local terms energy: -70.862826
where:
bonds (distance) C4'-P energy: -13.959
bonds (distance) P-C4' energy: -14.594
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -11.437
tors. eta vs tors. theta energy: -14.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -246.633358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.633358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.633358 (E_RNA)
where:
Base-Base interactions energy: -175.571
where: short stacking energy: -66.481
Base-Backbone interact. energy: 0.287
local terms energy: -71.348809
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.628
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -15.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -169.736038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.736038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.736038 (E_RNA)
where:
Base-Base interactions energy: -109.263
where: short stacking energy: -60.042
Base-Backbone interact. energy: -0.280
local terms energy: -60.193251
where:
bonds (distance) C4'-P energy: -11.735
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -7.141
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: 6, replica: 7
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -175.285727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.285727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.285727 (E_RNA)
where:
Base-Base interactions energy: -101.640
where: short stacking energy: -45.413
Base-Backbone interact. energy: -0.324
local terms energy: -73.321750
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -10.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -90.627563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627563 (E_RNA)
where:
Base-Base interactions energy: -31.575
where: short stacking energy: -28.952
Base-Backbone interact. energy: -0.161
local terms energy: -58.891723
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -16.655
flat angles C4'-P-C4' energy: -13.948
flat angles P-C4'-P energy: -10.965
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -80.392368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.392368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.392368 (E_RNA)
where:
Base-Base interactions energy: -33.731
where: short stacking energy: -30.381
Base-Backbone interact. energy: -0.170
local terms energy: -46.491274
where:
bonds (distance) C4'-P energy: -10.888
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -4.959
tors. eta vs tors. theta energy: -0.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -92.573752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.573752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.573752 (E_RNA)
where:
Base-Base interactions energy: -31.781
where: short stacking energy: -31.111
Base-Backbone interact. energy: -0.058
local terms energy: -60.735505
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -4.240
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: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -95.967957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.967957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.967957 (E_RNA)
where:
Base-Base interactions energy: -41.648
where: short stacking energy: -25.343
Base-Backbone interact. energy: -0.162
local terms energy: -54.157934
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.610
flat angles C4'-P-C4' energy: -8.916
flat angles P-C4'-P energy: -5.039
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -260.786351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.786351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.786351 (E_RNA)
where:
Base-Base interactions energy: -177.164
where: short stacking energy: -76.086
Base-Backbone interact. energy: 0.621
local terms energy: -84.244293
where:
bonds (distance) C4'-P energy: -14.763
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -19.355
flat angles P-C4'-P energy: -14.382
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -242.002622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.002622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.002622 (E_RNA)
where:
Base-Base interactions energy: -157.245
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.741
local terms energy: -84.017172
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -9.509
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -233.212835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.212835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.212835 (E_RNA)
where:
Base-Base interactions energy: -164.423
where: short stacking energy: -67.527
Base-Backbone interact. energy: -0.643
local terms energy: -68.146614
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -12.619
flat angles C4'-P-C4' energy: -18.355
flat angles P-C4'-P energy: -5.298
tors. eta vs tors. theta energy: -18.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -234.015010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.015010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.015010 (E_RNA)
where:
Base-Base interactions energy: -162.091
where: short stacking energy: -73.530
Base-Backbone interact. energy: -0.262
local terms energy: -71.662239
where:
bonds (distance) C4'-P energy: -11.081
bonds (distance) P-C4' energy: -14.863
flat angles C4'-P-C4' energy: -16.902
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -17.013
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: 7
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -185.121254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.121254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.121254 (E_RNA)
where:
Base-Base interactions energy: -122.119
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.626
local terms energy: -62.375722
where:
bonds (distance) C4'-P energy: -10.575
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -14.572
flat angles P-C4'-P energy: -8.743
tors. eta vs tors. theta energy: -11.333
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: 1
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -171.488636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.488636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.488636 (E_RNA)
where:
Base-Base interactions energy: -101.082
where: short stacking energy: -53.444
Base-Backbone interact. energy: -0.470
local terms energy: -69.937410
where:
bonds (distance) C4'-P energy: -17.445
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -9.059
tors. eta vs tors. theta energy: -15.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -107.730211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.730211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.730211 (E_RNA)
where:
Base-Base interactions energy: -47.613
where: short stacking energy: -46.978
Base-Backbone interact. energy: -0.144
local terms energy: -59.972877
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -7.215
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: 8, replica: 3
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -94.553001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553001 (E_RNA)
where:
Base-Base interactions energy: -39.491
where: short stacking energy: -39.491
Base-Backbone interact. energy: -0.019
local terms energy: -55.043833
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -10.082
flat angles C4'-P-C4' energy: -11.395
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -8.269
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: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -88.686089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.686089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.686089 (E_RNA)
where:
Base-Base interactions energy: -39.385
where: short stacking energy: -16.438
Base-Backbone interact. energy: -0.286
local terms energy: -49.014695
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.824
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: 4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -94.070731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.070731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.070731 (E_RNA)
where:
Base-Base interactions energy: -35.187
where: short stacking energy: -31.256
Base-Backbone interact. energy: -0.134
local terms energy: -58.749024
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -19.181
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -4.309
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: 1, replica: 2
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -260.338661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.338661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.338661 (E_RNA)
where:
Base-Base interactions energy: -178.178
where: short stacking energy: -71.740
Base-Backbone interact. energy: -0.335
local terms energy: -81.825619
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -17.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -242.663281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.663281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.663281 (E_RNA)
where:
Base-Base interactions energy: -162.562
where: short stacking energy: -69.641
Base-Backbone interact. energy: -0.177
local terms energy: -79.924057
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -13.393
flat angles P-C4'-P energy: -11.938
tors. eta vs tors. theta energy: -18.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -226.729795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.729795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.729795 (E_RNA)
where:
Base-Base interactions energy: -151.346
where: short stacking energy: -70.929
Base-Backbone interact. energy: -0.978
local terms energy: -74.405084
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -15.117
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -12.789
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: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -228.001148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.001148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.001148 (E_RNA)
where:
Base-Base interactions energy: -145.054
where: short stacking energy: -62.570
Base-Backbone interact. energy: 0.061
local terms energy: -83.007833
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -18.482
flat angles P-C4'-P energy: -11.791
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -195.076603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.076603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.076603 (E_RNA)
where:
Base-Base interactions energy: -124.179
where: short stacking energy: -61.549
Base-Backbone interact. energy: -0.121
local terms energy: -70.776899
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -8.255
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: 6, replica: 1
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -165.254547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.254547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.254547 (E_RNA)
where:
Base-Base interactions energy: -89.233
where: short stacking energy: -46.548
Base-Backbone interact. energy: -0.040
local terms energy: -75.981156
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -14.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -99.178012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.178012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.178012 (E_RNA)
where:
Base-Base interactions energy: -47.238
where: short stacking energy: -30.320
Base-Backbone interact. energy: -1.441
local terms energy: -50.498206
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -12.885
flat angles C4'-P-C4' energy: -15.721
flat angles P-C4'-P energy: -6.949
tors. eta vs tors. theta energy: 0.481
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: 10
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -93.569757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.569757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.569757 (E_RNA)
where:
Base-Base interactions energy: -27.616
where: short stacking energy: -26.508
Base-Backbone interact. energy: -1.033
local terms energy: -64.921518
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -7.524
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: 9, replica: 3
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -96.622831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.622831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.622831 (E_RNA)
where:
Base-Base interactions energy: -41.522
where: short stacking energy: -21.956
Base-Backbone interact. energy: 1.022
local terms energy: -56.122618
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -10.953
flat angles P-C4'-P energy: -4.728
tors. eta vs tors. theta energy: -4.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -85.475344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.475344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.475344 (E_RNA)
where:
Base-Base interactions energy: -30.523
where: short stacking energy: -25.777
Base-Backbone interact. energy: -0.176
local terms energy: -54.775899
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -9.343
flat angles C4'-P-C4' energy: -10.924
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -7.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -257.684137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.684137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.684137 (E_RNA)
where:
Base-Base interactions energy: -177.338
where: short stacking energy: -60.642
Base-Backbone interact. energy: -0.210
local terms energy: -80.135922
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -237.477149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.477149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.477149 (E_RNA)
where:
Base-Base interactions energy: -158.149
where: short stacking energy: -67.074
Base-Backbone interact. energy: -0.232
local terms energy: -79.095982
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -17.805
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: -17.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -227.468176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.468176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.468176 (E_RNA)
where:
Base-Base interactions energy: -156.266
where: short stacking energy: -71.326
Base-Backbone interact. energy: -0.153
local terms energy: -71.049062
where:
bonds (distance) C4'-P energy: -12.021
bonds (distance) P-C4' energy: -14.578
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -16.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -225.576275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.576275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.576275 (E_RNA)
where:
Base-Base interactions energy: -165.561
where: short stacking energy: -65.224
Base-Backbone interact. energy: -0.040
local terms energy: -59.975012
where:
bonds (distance) C4'-P energy: -13.773
bonds (distance) P-C4' energy: -15.223
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -7.075
tors. eta vs tors. theta energy: -11.891
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: 5, replica: 1
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -164.047020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.047020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.047020 (E_RNA)
where:
Base-Base interactions energy: -95.665
where: short stacking energy: -57.213
Base-Backbone interact. energy: -0.690
local terms energy: -67.691630
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -8.456
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: 6, replica: 7
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -185.155996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.155996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.155996 (E_RNA)
where:
Base-Base interactions energy: -108.834
where: short stacking energy: -46.186
Base-Backbone interact. energy: -0.031
local terms energy: -76.291624
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.602
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -12.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -108.955392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.955392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.955392 (E_RNA)
where:
Base-Base interactions energy: -54.183
where: short stacking energy: -34.501
Base-Backbone interact. energy: -0.189
local terms energy: -54.583009
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.955
flat angles C4'-P-C4' energy: -13.821
flat angles P-C4'-P energy: -7.702
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: 8
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -96.044116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.044116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.044116 (E_RNA)
where:
Base-Base interactions energy: -44.257
where: short stacking energy: -39.996
Base-Backbone interact. energy: -0.130
local terms energy: -51.656864
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -13.394
flat angles C4'-P-C4' energy: -15.193
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -6.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -99.498885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.498885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.498885 (E_RNA)
where:
Base-Base interactions energy: -39.939
where: short stacking energy: -29.297
Base-Backbone interact. energy: -0.536
local terms energy: -59.024426
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -8.738
tors. eta vs tors. theta energy: -1.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -86.293139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.293139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.293139 (E_RNA)
where:
Base-Base interactions energy: -36.270
where: short stacking energy: -23.460
Base-Backbone interact. energy: -0.522
local terms energy: -49.501318
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -11.076
flat angles P-C4'-P energy: -4.204
tors. eta vs tors. theta energy: -5.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -253.791996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.791996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.791996 (E_RNA)
where:
Base-Base interactions energy: -175.980
where: short stacking energy: -73.217
Base-Backbone interact. energy: -0.055
local terms energy: -77.756534
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -16.720
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -15.889
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: 4
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -235.991304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.991304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.991304 (E_RNA)
where:
Base-Base interactions energy: -159.347
where: short stacking energy: -70.408
Base-Backbone interact. energy: 0.214
local terms energy: -76.857825
where:
bonds (distance) C4'-P energy: -11.119
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -236.975887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.975887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.975887 (E_RNA)
where:
Base-Base interactions energy: -159.244
where: short stacking energy: -66.730
Base-Backbone interact. energy: -1.051
local terms energy: -76.680829
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -18.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -233.234575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.234575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.234575 (E_RNA)
where:
Base-Base interactions energy: -164.545
where: short stacking energy: -67.570
Base-Backbone interact. energy: -0.536
local terms energy: -68.153573
where:
bonds (distance) C4'-P energy: -11.740
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -12.919
flat angles P-C4'-P energy: -10.952
tors. eta vs tors. theta energy: -16.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -153.485445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.485445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.485445 (E_RNA)
where:
Base-Base interactions energy: -94.514
where: short stacking energy: -54.916
Base-Backbone interact. energy: 0.624
local terms energy: -59.595549
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -11.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -182.183542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.183542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.183542 (E_RNA)
where:
Base-Base interactions energy: -120.170
where: short stacking energy: -54.726
Base-Backbone interact. energy: -0.532
local terms energy: -61.481038
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -12.858
flat angles C4'-P-C4' energy: -13.261
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -12.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -95.283267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.283267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.283267 (E_RNA)
where:
Base-Base interactions energy: -43.077
where: short stacking energy: -25.144
Base-Backbone interact. energy: -0.330
local terms energy: -51.875962
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.217
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: 8, replica: 5
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -152.585471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.585471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.585471 (E_RNA)
where:
Base-Base interactions energy: -95.020
where: short stacking energy: -50.871
Base-Backbone interact. energy: -1.001
local terms energy: -56.564180
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -11.907
flat angles C4'-P-C4' energy: -10.874
flat angles P-C4'-P energy: -9.692
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -87.430195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.430195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.430195 (E_RNA)
where:
Base-Base interactions energy: -31.490
where: short stacking energy: -31.490
Base-Backbone interact. energy: -0.141
local terms energy: -55.798775
where:
bonds (distance) C4'-P energy: -11.737
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -5.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -88.578232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578232 (E_RNA)
where:
Base-Base interactions energy: -32.290
where: short stacking energy: -27.856
Base-Backbone interact. energy: -0.130
local terms energy: -56.158465
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -10.024
flat angles P-C4'-P energy: -10.391
tors. eta vs tors. theta energy: -1.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -260.547168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.547168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.547168 (E_RNA)
where:
Base-Base interactions energy: -177.778
where: short stacking energy: -71.956
Base-Backbone interact. energy: -0.005
local terms energy: -82.763524
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -19.084
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -16.113
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: 2, replica: 4
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -223.608857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.608857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.608857 (E_RNA)
where:
Base-Base interactions energy: -152.865
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.107
local terms energy: -70.636666
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -10.278
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -12.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -236.535854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.535854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.535854 (E_RNA)
where:
Base-Base interactions energy: -167.775
where: short stacking energy: -64.695
Base-Backbone interact. energy: -0.138
local terms energy: -68.622941
where:
bonds (distance) C4'-P energy: -13.181
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -9.667
tors. eta vs tors. theta energy: -14.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -237.274636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.274636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.274636 (E_RNA)
where:
Base-Base interactions energy: -161.801
where: short stacking energy: -74.252
Base-Backbone interact. energy: -0.209
local terms energy: -75.264330
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -11.444
tors. eta vs tors. theta energy: -18.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -170.161744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.161744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.161744 (E_RNA)
where:
Base-Base interactions energy: -104.498
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.145
local terms energy: -65.518329
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -10.702
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -10.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -159.842351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.842351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.842351 (E_RNA)
where:
Base-Base interactions energy: -90.472
where: short stacking energy: -49.602
Base-Backbone interact. energy: -0.014
local terms energy: -69.356463
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -7.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -154.817416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.817416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.817416 (E_RNA)
where:
Base-Base interactions energy: -87.425
where: short stacking energy: -56.629
Base-Backbone interact. energy: -0.515
local terms energy: -66.876817
where:
bonds (distance) C4'-P energy: -18.720
bonds (distance) P-C4' energy: -11.295
flat angles C4'-P-C4' energy: -11.197
flat angles P-C4'-P energy: -10.419
tors. eta vs tors. theta energy: -15.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -92.168495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.168495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.168495 (E_RNA)
where:
Base-Base interactions energy: -36.108
where: short stacking energy: -35.101
Base-Backbone interact. energy: -0.007
local terms energy: -56.052812
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -14.404
flat angles P-C4'-P energy: -4.556
tors. eta vs tors. theta energy: -10.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -89.485710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.485710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.485710 (E_RNA)
where:
Base-Base interactions energy: -30.256
where: short stacking energy: -29.299
Base-Backbone interact. energy: -0.221
local terms energy: -59.008342
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.452
tors. eta vs tors. theta energy: -3.227
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: 8
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -79.192079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.192079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.192079 (E_RNA)
where:
Base-Base interactions energy: -23.309
where: short stacking energy: -20.299
Base-Backbone interact. energy: -0.126
local terms energy: -55.757044
where:
bonds (distance) C4'-P energy: -14.737
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: -4.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -255.750231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.750231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.750231 (E_RNA)
where:
Base-Base interactions energy: -177.995
where: short stacking energy: -73.381
Base-Backbone interact. energy: -0.399
local terms energy: -77.355844
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -5.213
tors. eta vs tors. theta energy: -19.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -245.184850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.184850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.184850 (E_RNA)
where:
Base-Base interactions energy: -161.120
where: short stacking energy: -68.477
Base-Backbone interact. energy: -0.272
local terms energy: -83.793436
where:
bonds (distance) C4'-P energy: -17.945
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.721
flat angles P-C4'-P energy: -11.208
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -229.144909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.144909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.144909 (E_RNA)
where:
Base-Base interactions energy: -161.672
where: short stacking energy: -65.259
Base-Backbone interact. energy: 0.096
local terms energy: -67.568780
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -11.587
flat angles C4'-P-C4' energy: -13.272
flat angles P-C4'-P energy: -9.820
tors. eta vs tors. theta energy: -16.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -224.187928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.187928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.187928 (E_RNA)
where:
Base-Base interactions energy: -151.848
where: short stacking energy: -63.528
Base-Backbone interact. energy: -0.283
local terms energy: -72.056450
where:
bonds (distance) C4'-P energy: -14.889
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -12.766
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -17.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -159.583204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.583204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.583204 (E_RNA)
where:
Base-Base interactions energy: -101.873
where: short stacking energy: -55.371
Base-Backbone interact. energy: -0.147
local terms energy: -57.563149
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -11.314
flat angles C4'-P-C4' energy: -11.229
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -8.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -149.433602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.433602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.433602 (E_RNA)
where:
Base-Base interactions energy: -84.405
where: short stacking energy: -51.050
Base-Backbone interact. energy: -0.412
local terms energy: -64.616788
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -14.184
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -146.349903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.349903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.349903 (E_RNA)
where:
Base-Base interactions energy: -83.278
where: short stacking energy: -45.247
Base-Backbone interact. energy: -0.025
local terms energy: -63.047197
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -8.417
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -9.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -96.417053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.417053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.417053 (E_RNA)
where:
Base-Base interactions energy: -41.138
where: short stacking energy: -41.138
Base-Backbone interact. energy: -0.029
local terms energy: -55.250880
where:
bonds (distance) C4'-P energy: -10.105
bonds (distance) P-C4' energy: -16.914
flat angles C4'-P-C4' energy: -15.153
flat angles P-C4'-P energy: -8.648
tors. eta vs tors. theta energy: -4.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -111.291893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.291893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.291893 (E_RNA)
where:
Base-Base interactions energy: -68.855
where: short stacking energy: -29.020
Base-Backbone interact. energy: 2.492
local terms energy: -44.929177
where:
bonds (distance) C4'-P energy: -10.997
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -13.031
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: 3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -81.703045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.703045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.703045 (E_RNA)
where:
Base-Base interactions energy: -25.700
where: short stacking energy: -22.212
Base-Backbone interact. energy: -0.507
local terms energy: -55.496087
where:
bonds (distance) C4'-P energy: -13.790
bonds (distance) P-C4' energy: -13.081
flat angles C4'-P-C4' energy: -12.729
flat angles P-C4'-P energy: -10.116
tors. eta vs tors. theta energy: -5.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -255.867874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.867874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.867874 (E_RNA)
where:
Base-Base interactions energy: -171.643
where: short stacking energy: -74.688
Base-Backbone interact. energy: 0.002
local terms energy: -84.226608
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -19.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -239.428894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.428894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.428894 (E_RNA)
where:
Base-Base interactions energy: -169.098
where: short stacking energy: -65.965
Base-Backbone interact. energy: 0.509
local terms energy: -70.840574
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -10.620
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: 3, replica: 9
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -237.680375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.680375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.680375 (E_RNA)
where:
Base-Base interactions energy: -152.232
where: short stacking energy: -73.546
Base-Backbone interact. energy: -1.929
local terms energy: -83.518617
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -22.442
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: 4
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -239.603327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.603327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.603327 (E_RNA)
where:
Base-Base interactions energy: -157.347
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.101
local terms energy: -82.155270
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -12.858
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -163.463055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.463055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.463055 (E_RNA)
where:
Base-Base interactions energy: -88.418
where: short stacking energy: -60.429
Base-Backbone interact. energy: -0.992
local terms energy: -74.053520
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -14.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -177.142337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.142337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.142337 (E_RNA)
where:
Base-Base interactions energy: -108.870
where: short stacking energy: -52.267
Base-Backbone interact. energy: -1.149
local terms energy: -67.122693
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -4.574
tors. eta vs tors. theta energy: -13.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -181.668300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.668300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.668300 (E_RNA)
where:
Base-Base interactions energy: -117.189
where: short stacking energy: -55.043
Base-Backbone interact. energy: -0.077
local terms energy: -64.402573
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -13.503
flat angles C4'-P-C4' energy: -15.319
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -13.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -102.812145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.812145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.812145 (E_RNA)
where:
Base-Base interactions energy: -48.793
where: short stacking energy: -32.188
Base-Backbone interact. energy: -0.472
local terms energy: -53.547522
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -13.276
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -96.018873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.018873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.018873 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -23.949
Base-Backbone interact. energy: -0.224
local terms energy: -64.660771
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -1.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -75.157186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.157186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.157186 (E_RNA)
where:
Base-Base interactions energy: -26.293
where: short stacking energy: -22.315
Base-Backbone interact. energy: 0.418
local terms energy: -49.282210
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -18.882
flat angles C4'-P-C4' energy: -11.081
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: 3.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -253.404663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.404663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.404663 (E_RNA)
where:
Base-Base interactions energy: -178.410
where: short stacking energy: -70.571
Base-Backbone interact. energy: -0.397
local terms energy: -74.597494
where:
bonds (distance) C4'-P energy: -15.594
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -244.059870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.059870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.059870 (E_RNA)
where:
Base-Base interactions energy: -159.070
where: short stacking energy: -69.492
Base-Backbone interact. energy: -1.496
local terms energy: -83.494152
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -16.848
flat angles P-C4'-P energy: -12.193
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -231.508607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.508607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.508607 (E_RNA)
where:
Base-Base interactions energy: -154.861
where: short stacking energy: -63.548
Base-Backbone interact. energy: -0.194
local terms energy: -76.453018
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -19.804
flat angles C4'-P-C4' energy: -13.005
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -243.102683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.102683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.102683 (E_RNA)
where:
Base-Base interactions energy: -166.846
where: short stacking energy: -71.405
Base-Backbone interact. energy: -0.168
local terms energy: -76.088630
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -11.575
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: 5, replica: 5
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -109.758400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.758400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.758400 (E_RNA)
where:
Base-Base interactions energy: -48.668
where: short stacking energy: -33.318
Base-Backbone interact. energy: -0.129
local terms energy: -60.961037
where:
bonds (distance) C4'-P energy: -16.716
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -7.709
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -188.805189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.805189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.805189 (E_RNA)
where:
Base-Base interactions energy: -116.518
where: short stacking energy: -58.213
Base-Backbone interact. energy: 0.345
local terms energy: -72.632372
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -13.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -160.545202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.545202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.545202 (E_RNA)
where:
Base-Base interactions energy: -98.700
where: short stacking energy: -49.423
Base-Backbone interact. energy: -0.101
local terms energy: -61.744249
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -12.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -97.081255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.081255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.081255 (E_RNA)
where:
Base-Base interactions energy: -40.296
where: short stacking energy: -37.569
Base-Backbone interact. energy: -0.038
local terms energy: -56.747442
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -9.958
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -6.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -82.845369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.845369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.845369 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -31.494
Base-Backbone interact. energy: -0.790
local terms energy: -46.250214
where:
bonds (distance) C4'-P energy: -8.403
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -85.918648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.918648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.918648 (E_RNA)
where:
Base-Base interactions energy: -34.981
where: short stacking energy: -19.629
Base-Backbone interact. energy: 0.611
local terms energy: -51.548863
where:
bonds (distance) C4'-P energy: -13.994
bonds (distance) P-C4' energy: -14.725
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -8.046
tors. eta vs tors. theta energy: -1.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -260.263446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.263446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.263446 (E_RNA)
where:
Base-Base interactions energy: -178.110
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.844
local terms energy: -81.309168
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -19.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -238.535659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.535659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.535659 (E_RNA)
where:
Base-Base interactions energy: -156.060
where: short stacking energy: -71.890
Base-Backbone interact. energy: -0.425
local terms energy: -82.051102
where:
bonds (distance) C4'-P energy: -15.508
bonds (distance) P-C4' energy: -16.829
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -18.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -236.340020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.340020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.340020 (E_RNA)
where:
Base-Base interactions energy: -154.401
where: short stacking energy: -76.231
Base-Backbone interact. energy: -0.379
local terms energy: -81.560148
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -21.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -239.854591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.854591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.854591 (E_RNA)
where:
Base-Base interactions energy: -171.275
where: short stacking energy: -70.132
Base-Backbone interact. energy: -0.219
local terms energy: -68.361109
where:
bonds (distance) C4'-P energy: -13.256
bonds (distance) P-C4' energy: -13.507
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -9.115
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -200.986045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.986045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.986045 (E_RNA)
where:
Base-Base interactions energy: -130.207
where: short stacking energy: -62.890
Base-Backbone interact. energy: -0.009
local terms energy: -70.769816
where:
bonds (distance) C4'-P energy: -13.966
bonds (distance) P-C4' energy: -11.216
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -17.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -109.222136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.222136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.222136 (E_RNA)
where:
Base-Base interactions energy: -54.947
where: short stacking energy: -27.441
Base-Backbone interact. energy: -0.192
local terms energy: -54.082733
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -12.714
flat angles C4'-P-C4' energy: -10.120
flat angles P-C4'-P energy: -10.339
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: 7, replica: 3
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -94.656088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.656088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.656088 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -37.080
Base-Backbone interact. energy: -0.265
local terms energy: -56.826168
where:
bonds (distance) C4'-P energy: -15.408
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -15.052
flat angles P-C4'-P energy: -4.367
tors. eta vs tors. theta energy: -5.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -167.861280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.861280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.861280 (E_RNA)
where:
Base-Base interactions energy: -101.136
where: short stacking energy: -57.949
Base-Backbone interact. energy: -0.672
local terms energy: -66.052822
where:
bonds (distance) C4'-P energy: -8.139
bonds (distance) P-C4' energy: -14.054
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -15.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -86.050342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.050342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.050342 (E_RNA)
where:
Base-Base interactions energy: -29.732
where: short stacking energy: -29.732
Base-Backbone interact. energy: -0.077
local terms energy: -56.241500
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.919
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: 10
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -81.926641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.926641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.926641 (E_RNA)
where:
Base-Base interactions energy: -24.643
where: short stacking energy: -18.389
Base-Backbone interact. energy: -0.283
local terms energy: -57.000306
where:
bonds (distance) C4'-P energy: -15.697
bonds (distance) P-C4' energy: -14.414
flat angles C4'-P-C4' energy: -15.904
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -252.192998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.192998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.192998 (E_RNA)
where:
Base-Base interactions energy: -178.482
where: short stacking energy: -75.416
Base-Backbone interact. energy: -0.014
local terms energy: -73.696884
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -11.797
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -19.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -244.152915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.152915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.152915 (E_RNA)
where:
Base-Base interactions energy: -160.225
where: short stacking energy: -85.323
Base-Backbone interact. energy: -0.361
local terms energy: -83.567023
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -11.726
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: 9
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -242.426588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.426588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.426588 (E_RNA)
where:
Base-Base interactions energy: -167.368
where: short stacking energy: -69.225
Base-Backbone interact. energy: 0.400
local terms energy: -75.458919
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -15.183
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -15.805
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: 347
Temperature: 1.050000
Total energy: -242.764331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.764331 (E_RNA)
where:
Base-Base interactions energy: -171.294
where: short stacking energy: -71.737
Base-Backbone interact. energy: -1.029
local terms energy: -70.440579
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -15.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -184.866220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.866220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.866220 (E_RNA)
where:
Base-Base interactions energy: -117.182
where: short stacking energy: -59.287
Base-Backbone interact. energy: -0.554
local terms energy: -67.129833
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -11.983
flat angles C4'-P-C4' energy: -16.301
flat angles P-C4'-P energy: -11.063
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: 6, replica: 3
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -111.554079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.554079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.554079 (E_RNA)
where:
Base-Base interactions energy: -46.240
where: short stacking energy: -46.240
Base-Backbone interact. energy: -0.439
local terms energy: -64.875038
where:
bonds (distance) C4'-P energy: -11.463
bonds (distance) P-C4' energy: -15.705
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -8.311
tors. eta vs tors. theta energy: -12.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -136.218313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.218313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.218313 (E_RNA)
where:
Base-Base interactions energy: -84.973
where: short stacking energy: -35.188
Base-Backbone interact. energy: -0.387
local terms energy: -50.858922
where:
bonds (distance) C4'-P energy: -11.708
bonds (distance) P-C4' energy: -7.115
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -140.273772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.273772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.273772 (E_RNA)
where:
Base-Base interactions energy: -76.377
where: short stacking energy: -40.140
Base-Backbone interact. energy: -0.024
local terms energy: -63.873440
where:
bonds (distance) C4'-P energy: -15.284
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -94.576349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.576349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.576349 (E_RNA)
where:
Base-Base interactions energy: -36.284
where: short stacking energy: -35.110
Base-Backbone interact. energy: -0.042
local terms energy: -58.251035
where:
bonds (distance) C4'-P energy: -14.550
bonds (distance) P-C4' energy: -21.153
flat angles C4'-P-C4' energy: -9.077
flat angles P-C4'-P energy: -5.907
tors. eta vs tors. theta energy: -7.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -86.041722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.041722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.041722 (E_RNA)
where:
Base-Base interactions energy: -30.606
where: short stacking energy: -26.952
Base-Backbone interact. energy: -1.426
local terms energy: -54.009308
where:
bonds (distance) C4'-P energy: -6.946
bonds (distance) P-C4' energy: -15.587
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -7.528
tors. eta vs tors. theta energy: -7.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -255.515378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.515378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.515378 (E_RNA)
where:
Base-Base interactions energy: -176.477
where: short stacking energy: -72.949
Base-Backbone interact. energy: -0.515
local terms energy: -78.523734
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.331
flat angles C4'-P-C4' energy: -16.838
flat angles P-C4'-P energy: -10.919
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -242.179208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.179208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.179208 (E_RNA)
where:
Base-Base interactions energy: -161.342
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.372
local terms energy: -80.464674
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.846
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: 3, replica: 9
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -237.602219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.602219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.602219 (E_RNA)
where:
Base-Base interactions energy: -158.458
where: short stacking energy: -67.205
Base-Backbone interact. energy: -0.658
local terms energy: -78.486212
where:
bonds (distance) C4'-P energy: -10.598
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -228.134965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.134965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.134965 (E_RNA)
where:
Base-Base interactions energy: -157.900
where: short stacking energy: -71.275
Base-Backbone interact. energy: -0.605
local terms energy: -69.629438
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -12.674
flat angles C4'-P-C4' energy: -15.803
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -16.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -183.966823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.966823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.966823 (E_RNA)
where:
Base-Base interactions energy: -108.388
where: short stacking energy: -46.582
Base-Backbone interact. energy: -0.065
local terms energy: -75.513871
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -18.746
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -15.588
tors. eta vs tors. theta energy: -10.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -103.853504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.853504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.853504 (E_RNA)
where:
Base-Base interactions energy: -51.642
where: short stacking energy: -27.204
Base-Backbone interact. energy: -0.235
local terms energy: -51.976394
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -16.385
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -3.428
tors. eta vs tors. theta energy: -0.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -153.317251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.317251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.317251 (E_RNA)
where:
Base-Base interactions energy: -94.440
where: short stacking energy: -45.725
Base-Backbone interact. energy: -0.169
local terms energy: -58.708105
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -4.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -143.015100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.015100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.015100 (E_RNA)
where:
Base-Base interactions energy: -76.848
where: short stacking energy: -46.128
Base-Backbone interact. energy: -0.047
local terms energy: -66.119804
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -14.397
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: -10.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -102.449940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.449940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.449940 (E_RNA)
where:
Base-Base interactions energy: -51.081
where: short stacking energy: -41.817
Base-Backbone interact. energy: 1.641
local terms energy: -53.010391
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -4.828
tors. eta vs tors. theta energy: -8.988
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: 348
Temperature: 1.350000
Total energy: -93.782451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.782451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.782451 (E_RNA)
where:
Base-Base interactions energy: -42.364
where: short stacking energy: -36.223
Base-Backbone interact. energy: -0.068
local terms energy: -51.349630
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -12.545
flat angles C4'-P-C4' energy: -7.178
flat angles P-C4'-P energy: -10.173
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: 1, replica: 2
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -251.613553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.613553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.613553 (E_RNA)
where:
Base-Base interactions energy: -171.844
where: short stacking energy: -72.254
Base-Backbone interact. energy: 0.321
local terms energy: -80.091061
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -18.059
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -236.258612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.258612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.258612 (E_RNA)
where:
Base-Base interactions energy: -159.019
where: short stacking energy: -66.699
Base-Backbone interact. energy: -0.467
local terms energy: -76.773334
where:
bonds (distance) C4'-P energy: -14.029
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -18.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -241.758293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.758293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.758293 (E_RNA)
where:
Base-Base interactions energy: -159.006
where: short stacking energy: -71.346
Base-Backbone interact. energy: -0.511
local terms energy: -82.241233
where:
bonds (distance) C4'-P energy: -15.085
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -14.582
tors. eta vs tors. theta energy: -20.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -208.622366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.622366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.622366 (E_RNA)
where:
Base-Base interactions energy: -132.874
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.044
local terms energy: -75.705061
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -11.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -224.687756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.687756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.687756 (E_RNA)
where:
Base-Base interactions energy: -155.322
where: short stacking energy: -64.076
Base-Backbone interact. energy: -0.082
local terms energy: -69.283039
where:
bonds (distance) C4'-P energy: -10.189
bonds (distance) P-C4' energy: -14.031
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -11.960
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: 6, replica: 7
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -160.706915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.706915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.706915 (E_RNA)
where:
Base-Base interactions energy: -100.395
where: short stacking energy: -50.082
Base-Backbone interact. energy: -0.170
local terms energy: -60.142122
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -11.365
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -93.333038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.333038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.333038 (E_RNA)
where:
Base-Base interactions energy: -41.371
where: short stacking energy: -31.367
Base-Backbone interact. energy: -0.261
local terms energy: -51.701552
where:
bonds (distance) C4'-P energy: -13.021
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -10.114
flat angles P-C4'-P energy: -6.363
tors. eta vs tors. theta energy: -4.202
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: 5
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -154.149138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.149138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.149138 (E_RNA)
where:
Base-Base interactions energy: -89.374
where: short stacking energy: -48.777
Base-Backbone interact. energy: 0.230
local terms energy: -65.005601
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -11.795
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: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -98.395684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.395684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.395684 (E_RNA)
where:
Base-Base interactions energy: -39.697
where: short stacking energy: -39.433
Base-Backbone interact. energy: -0.058
local terms energy: -58.640595
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -12.572
flat angles C4'-P-C4' energy: -13.526
flat angles P-C4'-P energy: -9.514
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: 8
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -84.377840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.377840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.377840 (E_RNA)
where:
Base-Base interactions energy: -32.987
where: short stacking energy: -32.987
Base-Backbone interact. energy: -0.025
local terms energy: -51.365806
where:
bonds (distance) C4'-P energy: -11.938
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -7.731
tors. eta vs tors. theta energy: -3.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -244.735024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.735024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.735024 (E_RNA)
where:
Base-Base interactions energy: -165.864
where: short stacking energy: -71.974
Base-Backbone interact. energy: -0.391
local terms energy: -78.479737
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -13.596
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -244.180844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.180844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.180844 (E_RNA)
where:
Base-Base interactions energy: -168.796
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.183
local terms energy: -75.201863
where:
bonds (distance) C4'-P energy: -13.506
bonds (distance) P-C4' energy: -13.260
flat angles C4'-P-C4' energy: -21.226
flat angles P-C4'-P energy: -9.477
tors. eta vs tors. theta energy: -17.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -222.640208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.640208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.640208 (E_RNA)
where:
Base-Base interactions energy: -154.657
where: short stacking energy: -66.991
Base-Backbone interact. energy: -0.769
local terms energy: -67.214134
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -16.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -205.077087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.077087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.077087 (E_RNA)
where:
Base-Base interactions energy: -132.342
where: short stacking energy: -66.914
Base-Backbone interact. energy: -0.123
local terms energy: -72.612588
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -14.544
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: 4
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -239.935865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.935865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.935865 (E_RNA)
where:
Base-Base interactions energy: -164.690
where: short stacking energy: -68.986
Base-Backbone interact. energy: -0.301
local terms energy: -74.944496
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -15.221
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -11.579
tors. eta vs tors. theta energy: -15.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -174.068531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.068531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.068531 (E_RNA)
where:
Base-Base interactions energy: -113.924
where: short stacking energy: -50.618
Base-Backbone interact. energy: -0.109
local terms energy: -60.035410
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -12.671
flat angles C4'-P-C4' energy: -8.875
flat angles P-C4'-P energy: -8.185
tors. eta vs tors. theta energy: -12.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -110.854218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.854218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.854218 (E_RNA)
where:
Base-Base interactions energy: -45.593
where: short stacking energy: -32.187
Base-Backbone interact. energy: -0.062
local terms energy: -65.200051
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -16.165
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -9.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -90.265674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.265674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.265674 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -27.739
Base-Backbone interact. energy: 0.047
local terms energy: -58.308408
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -4.220
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -94.740830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.740830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.740830 (E_RNA)
where:
Base-Base interactions energy: -42.991
where: short stacking energy: -37.430
Base-Backbone interact. energy: 0.103
local terms energy: -51.853132
where:
bonds (distance) C4'-P energy: -10.195
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -7.928
tors. eta vs tors. theta energy: -3.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -79.420910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.420910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.420910 (E_RNA)
where:
Base-Base interactions energy: -27.914
where: short stacking energy: -27.914
Base-Backbone interact. energy: -0.011
local terms energy: -51.495911
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -7.604
flat angles P-C4'-P energy: -8.491
tors. eta vs tors. theta energy: -7.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -248.712915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.712915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.712915 (E_RNA)
where:
Base-Base interactions energy: -172.417
where: short stacking energy: -68.917
Base-Backbone interact. energy: -0.389
local terms energy: -75.906813
where:
bonds (distance) C4'-P energy: -19.245
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.841
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -14.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -250.782778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.782778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.782778 (E_RNA)
where:
Base-Base interactions energy: -166.263
where: short stacking energy: -69.091
Base-Backbone interact. energy: -0.161
local terms energy: -84.359561
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -11.931
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: 3, replica: 6
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -250.584797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.584797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.584797 (E_RNA)
where:
Base-Base interactions energy: -175.721
where: short stacking energy: -64.927
Base-Backbone interact. energy: 1.777
local terms energy: -76.640379
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -17.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -236.043092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.043092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.043092 (E_RNA)
where:
Base-Base interactions energy: -157.734
where: short stacking energy: -65.744
Base-Backbone interact. energy: -1.045
local terms energy: -77.264323
where:
bonds (distance) C4'-P energy: -12.881
bonds (distance) P-C4' energy: -18.618
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -16.290
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: 5, replica: 1
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -191.644791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.644791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.644791 (E_RNA)
where:
Base-Base interactions energy: -122.648
where: short stacking energy: -59.894
Base-Backbone interact. energy: -0.091
local terms energy: -68.905420
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -12.016
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: 5
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -115.593828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.593828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.593828 (E_RNA)
where:
Base-Base interactions energy: -48.759
where: short stacking energy: -41.778
Base-Backbone interact. energy: 1.159
local terms energy: -67.994142
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -17.714
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -10.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -164.782060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.782060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.782060 (E_RNA)
where:
Base-Base interactions energy: -104.670
where: short stacking energy: -42.932
Base-Backbone interact. energy: -0.021
local terms energy: -60.091474
where:
bonds (distance) C4'-P energy: -15.507
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -8.910
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: 8, replica: 10
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -92.957381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957381 (E_RNA)
where:
Base-Base interactions energy: -47.099
where: short stacking energy: -30.311
Base-Backbone interact. energy: -0.194
local terms energy: -45.664218
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -7.860
flat angles P-C4'-P energy: -2.912
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: 9, replica: 3
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -93.000833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.000833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.000833 (E_RNA)
where:
Base-Base interactions energy: -34.924
where: short stacking energy: -34.924
Base-Backbone interact. energy: -0.089
local terms energy: -57.988293
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -16.407
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -6.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -76.474916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.474916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.474916 (E_RNA)
where:
Base-Base interactions energy: -27.383
where: short stacking energy: -27.162
Base-Backbone interact. energy: -0.100
local terms energy: -48.991545
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -10.106
flat angles P-C4'-P energy: -2.926
tors. eta vs tors. theta energy: -1.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -247.426874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.426874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.426874 (E_RNA)
where:
Base-Base interactions energy: -173.255
where: short stacking energy: -70.892
Base-Backbone interact. energy: -0.853
local terms energy: -73.319213
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.887
flat angles C4'-P-C4' energy: -18.256
flat angles P-C4'-P energy: -9.556
tors. eta vs tors. theta energy: -14.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -245.595071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.595071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.595071 (E_RNA)
where:
Base-Base interactions energy: -173.163
where: short stacking energy: -64.344
Base-Backbone interact. energy: -0.341
local terms energy: -72.090442
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -16.334
flat angles P-C4'-P energy: -13.324
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -232.555712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.555712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.555712 (E_RNA)
where:
Base-Base interactions energy: -158.794
where: short stacking energy: -76.882
Base-Backbone interact. energy: -0.119
local terms energy: -73.643199
where:
bonds (distance) C4'-P energy: -11.190
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -17.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -240.980131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.980131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.980131 (E_RNA)
where:
Base-Base interactions energy: -167.503
where: short stacking energy: -67.217
Base-Backbone interact. energy: -0.133
local terms energy: -73.344470
where:
bonds (distance) C4'-P energy: -12.858
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.439
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -189.026475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.026475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.026475 (E_RNA)
where:
Base-Base interactions energy: -117.927
where: short stacking energy: -57.618
Base-Backbone interact. energy: -0.287
local terms energy: -70.812178
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -16.858
flat angles P-C4'-P energy: -8.453
tors. eta vs tors. theta energy: -14.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -110.362528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.362528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.362528 (E_RNA)
where:
Base-Base interactions energy: -52.236
where: short stacking energy: -38.979
Base-Backbone interact. energy: -0.130
local terms energy: -57.996747
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -7.682
tors. eta vs tors. theta energy: -3.104
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: 7
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -92.602643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.602643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.602643 (E_RNA)
where:
Base-Base interactions energy: -31.274
where: short stacking energy: -24.728
Base-Backbone interact. energy: 0.069
local terms energy: -61.397898
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -16.310
flat angles P-C4'-P energy: -10.684
tors. eta vs tors. theta energy: 0.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -87.289685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.289685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.289685 (E_RNA)
where:
Base-Base interactions energy: -37.516
where: short stacking energy: -37.516
Base-Backbone interact. energy: -0.006
local terms energy: -49.767927
where:
bonds (distance) C4'-P energy: -8.043
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -7.533
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: 9, replica: 8
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -87.136321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.136321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.136321 (E_RNA)
where:
Base-Base interactions energy: -33.427
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.445
local terms energy: -53.264036
where:
bonds (distance) C4'-P energy: -14.849
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -9.596
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -4.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -90.576102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.576102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.576102 (E_RNA)
where:
Base-Base interactions energy: -44.744
where: short stacking energy: -35.623
Base-Backbone interact. energy: 0.158
local terms energy: -45.989911
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -9.127
flat angles P-C4'-P energy: -3.301
tors. eta vs tors. theta energy: -6.361
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: 2
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -252.540316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540316 (E_RNA)
where:
Base-Base interactions energy: -178.841
where: short stacking energy: -76.789
Base-Backbone interact. energy: -0.007
local terms energy: -73.692465
where:
bonds (distance) C4'-P energy: -11.066
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -18.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -232.773838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.773838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.773838 (E_RNA)
where:
Base-Base interactions energy: -153.936
where: short stacking energy: -70.189
Base-Backbone interact. energy: -0.183
local terms energy: -78.654997
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -16.822
flat angles P-C4'-P energy: -10.522
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: 3, replica: 9
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -242.466971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.466971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.466971 (E_RNA)
where:
Base-Base interactions energy: -176.143
where: short stacking energy: -60.549
Base-Backbone interact. energy: 0.106
local terms energy: -66.430123
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -11.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -248.228434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.228434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.228434 (E_RNA)
where:
Base-Base interactions energy: -166.827
where: short stacking energy: -71.642
Base-Backbone interact. energy: -0.094
local terms energy: -81.307485
where:
bonds (distance) C4'-P energy: -16.803
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -15.854
tors. eta vs tors. theta energy: -15.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -192.192366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.192366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.192366 (E_RNA)
where:
Base-Base interactions energy: -121.576
where: short stacking energy: -54.115
Base-Backbone interact. energy: -0.024
local terms energy: -70.592595
where:
bonds (distance) C4'-P energy: -8.952
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -11.816
tors. eta vs tors. theta energy: -15.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -104.630941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.630941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.630941 (E_RNA)
where:
Base-Base interactions energy: -47.720
where: short stacking energy: -28.328
Base-Backbone interact. energy: 1.168
local terms energy: -58.078496
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -2.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -100.104256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.104256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.104256 (E_RNA)
where:
Base-Base interactions energy: -44.849
where: short stacking energy: -44.849
Base-Backbone interact. energy: -0.180
local terms energy: -55.075213
where:
bonds (distance) C4'-P energy: -11.154
bonds (distance) P-C4' energy: -15.740
flat angles C4'-P-C4' energy: -14.044
flat angles P-C4'-P energy: -6.590
tors. eta vs tors. theta energy: -7.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -90.611473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.611473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.611473 (E_RNA)
where:
Base-Base interactions energy: -33.160
where: short stacking energy: -29.946
Base-Backbone interact. energy: -0.437
local terms energy: -57.015214
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -12.874
flat angles C4'-P-C4' energy: -14.635
flat angles P-C4'-P energy: -11.265
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: 9, replica: 8
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -94.883623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.883623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.883623 (E_RNA)
where:
Base-Base interactions energy: -44.556
where: short stacking energy: -40.114
Base-Backbone interact. energy: 0.998
local terms energy: -51.325563
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -15.097
flat angles C4'-P-C4' energy: -15.151
flat angles P-C4'-P energy: -5.615
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: 3
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -92.200917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.200917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.200917 (E_RNA)
where:
Base-Base interactions energy: -34.895
where: short stacking energy: -34.895
Base-Backbone interact. energy: -0.126
local terms energy: -57.180539
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -18.817
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -8.438
tors. eta vs tors. theta energy: -5.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -248.688546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.688546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.688546 (E_RNA)
where:
Base-Base interactions energy: -164.739
where: short stacking energy: -75.154
Base-Backbone interact. energy: -0.292
local terms energy: -83.657293
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -19.261
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -19.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -254.885054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.885054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.885054 (E_RNA)
where:
Base-Base interactions energy: -170.320
where: short stacking energy: -75.030
Base-Backbone interact. energy: 0.106
local terms energy: -84.670369
where:
bonds (distance) C4'-P energy: -14.382
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -15.260
tors. eta vs tors. theta energy: -18.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -246.975094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.975094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.975094 (E_RNA)
where:
Base-Base interactions energy: -169.906
where: short stacking energy: -72.203
Base-Backbone interact. energy: -0.381
local terms energy: -76.688069
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -12.449
flat angles C4'-P-C4' energy: -15.500
flat angles P-C4'-P energy: -12.586
tors. eta vs tors. theta energy: -18.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -237.671725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.671725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.671725 (E_RNA)
where:
Base-Base interactions energy: -176.883
where: short stacking energy: -60.524
Base-Backbone interact. energy: -0.410
local terms energy: -60.379145
where:
bonds (distance) C4'-P energy: -6.652
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -15.998
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -14.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -202.659607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.659607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.659607 (E_RNA)
where:
Base-Base interactions energy: -125.515
where: short stacking energy: -56.245
Base-Backbone interact. energy: -0.101
local terms energy: -77.044030
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -14.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -112.154545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.154545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.154545 (E_RNA)
where:
Base-Base interactions energy: -53.413
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.031
local terms energy: -58.710988
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -13.702
flat angles C4'-P-C4' energy: -11.164
flat angles P-C4'-P energy: -10.487
tors. eta vs tors. theta energy: -8.362
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: 10
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -95.281637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.281637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.281637 (E_RNA)
where:
Base-Base interactions energy: -38.695
where: short stacking energy: -38.695
Base-Backbone interact. energy: -0.103
local terms energy: -56.483589
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -8.439
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -4.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -90.788413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.788413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.788413 (E_RNA)
where:
Base-Base interactions energy: -36.636
where: short stacking energy: -33.443
Base-Backbone interact. energy: -0.276
local terms energy: -53.876179
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -10.812
tors. eta vs tors. theta energy: -2.988
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: 8
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -81.230089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.230089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.230089 (E_RNA)
where:
Base-Base interactions energy: -28.042
where: short stacking energy: -26.679
Base-Backbone interact. energy: -0.243
local terms energy: -52.944764
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -13.508
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -6.515
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -72.849334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -72.849334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -72.849334 (E_RNA)
where:
Base-Base interactions energy: -26.302
where: short stacking energy: -23.917
Base-Backbone interact. energy: 0.536
local terms energy: -47.083054
where:
bonds (distance) C4'-P energy: -10.857
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -9.858
tors. eta vs tors. theta energy: 2.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -242.085883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.085883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.085883 (E_RNA)
where:
Base-Base interactions energy: -161.309
where: short stacking energy: -64.987
Base-Backbone interact. energy: -0.252
local terms energy: -80.525468
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -251.522309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.522309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.522309 (E_RNA)
where:
Base-Base interactions energy: -168.310
where: short stacking energy: -70.428
Base-Backbone interact. energy: -0.525
local terms energy: -82.687345
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -12.270
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: 2
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -246.389539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.389539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.389539 (E_RNA)
where:
Base-Base interactions energy: -170.111
where: short stacking energy: -71.081
Base-Backbone interact. energy: -0.093
local terms energy: -76.186370
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.127
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -17.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -227.579940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.579940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.579940 (E_RNA)
where:
Base-Base interactions energy: -149.947
where: short stacking energy: -58.458
Base-Backbone interact. energy: -0.258
local terms energy: -77.375010
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -17.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -185.917746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.917746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.917746 (E_RNA)
where:
Base-Base interactions energy: -111.137
where: short stacking energy: -56.113
Base-Backbone interact. energy: -0.489
local terms energy: -74.290941
where:
bonds (distance) C4'-P energy: -14.481
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -13.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -94.559664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.559664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.559664 (E_RNA)
where:
Base-Base interactions energy: -37.049
where: short stacking energy: -31.612
Base-Backbone interact. energy: -0.193
local terms energy: -57.316987
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -9.166
flat angles P-C4'-P energy: -8.074
tors. eta vs tors. theta energy: -9.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -101.780271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.780271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.780271 (E_RNA)
where:
Base-Base interactions energy: -43.641
where: short stacking energy: -33.730
Base-Backbone interact. energy: -0.303
local terms energy: -57.836676
where:
bonds (distance) C4'-P energy: -14.435
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -11.840
flat angles P-C4'-P energy: -7.252
tors. eta vs tors. theta energy: -6.067
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: 8
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -95.970476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.970476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.970476 (E_RNA)
where:
Base-Base interactions energy: -39.738
where: short stacking energy: -23.792
Base-Backbone interact. energy: -0.258
local terms energy: -55.974753
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -13.294
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: 2.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -74.401638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.401638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.401638 (E_RNA)
where:
Base-Base interactions energy: -22.647
where: short stacking energy: -19.884
Base-Backbone interact. energy: -0.189
local terms energy: -51.564854
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -2.128
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: 3
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -88.397855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.397855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.397855 (E_RNA)
where:
Base-Base interactions energy: -35.619
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.096
local terms energy: -52.682831
where:
bonds (distance) C4'-P energy: -12.245
bonds (distance) P-C4' energy: -15.526
flat angles C4'-P-C4' energy: -13.250
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -1.236
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: 6
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -244.424646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.424646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.424646 (E_RNA)
where:
Base-Base interactions energy: -161.553
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.769
local terms energy: -82.102350
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -20.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -231.885896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.885896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.885896 (E_RNA)
where:
Base-Base interactions energy: -157.505
where: short stacking energy: -61.603
Base-Backbone interact. energy: -0.742
local terms energy: -73.639307
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -13.759
flat angles C4'-P-C4' energy: -13.909
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -17.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -230.955093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.955093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.955093 (E_RNA)
where:
Base-Base interactions energy: -155.492
where: short stacking energy: -58.695
Base-Backbone interact. energy: -0.850
local terms energy: -74.613049
where:
bonds (distance) C4'-P energy: -12.644
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.458
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -245.449818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.449818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.449818 (E_RNA)
where:
Base-Base interactions energy: -167.086
where: short stacking energy: -67.281
Base-Backbone interact. energy: -0.247
local terms energy: -78.116753
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -11.490
flat angles P-C4'-P energy: -13.872
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: 5, replica: 1
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -175.487817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.487817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.487817 (E_RNA)
where:
Base-Base interactions energy: -97.880
where: short stacking energy: -62.963
Base-Backbone interact. energy: -0.124
local terms energy: -77.483558
where:
bonds (distance) C4'-P energy: -16.990
bonds (distance) P-C4' energy: -14.651
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -12.392
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: 6, replica: 10
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -103.355250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.355250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.355250 (E_RNA)
where:
Base-Base interactions energy: -41.222
where: short stacking energy: -39.945
Base-Backbone interact. energy: -0.285
local terms energy: -61.848136
where:
bonds (distance) C4'-P energy: -11.252
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -14.060
flat angles P-C4'-P energy: -11.438
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: 7, replica: 8
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -133.526013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.526013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.526013 (E_RNA)
where:
Base-Base interactions energy: -68.773
where: short stacking energy: -47.724
Base-Backbone interact. energy: -0.003
local terms energy: -64.750266
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -14.175
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -9.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -90.129842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129842 (E_RNA)
where:
Base-Base interactions energy: -42.350
where: short stacking energy: -38.830
Base-Backbone interact. energy: -0.423
local terms energy: -47.357124
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -10.882
flat angles C4'-P-C4' energy: -7.119
flat angles P-C4'-P energy: -5.610
tors. eta vs tors. theta energy: -6.884
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: 3
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -84.466153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.466153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.466153 (E_RNA)
where:
Base-Base interactions energy: -26.487
where: short stacking energy: -22.949
Base-Backbone interact. energy: -0.401
local terms energy: -57.577620
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.809
flat angles C4'-P-C4' energy: -14.372
flat angles P-C4'-P energy: -10.746
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: 10, replica: 7
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -80.360779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.360779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.360779 (E_RNA)
where:
Base-Base interactions energy: -33.932
where: short stacking energy: -24.569
Base-Backbone interact. energy: -0.367
local terms energy: -46.062352
where:
bonds (distance) C4'-P energy: -11.973
bonds (distance) P-C4' energy: -13.972
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: 3.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -243.823584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.823584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.823584 (E_RNA)
where:
Base-Base interactions energy: -167.262
where: short stacking energy: -72.907
Base-Backbone interact. energy: -0.141
local terms energy: -76.420239
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -19.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -240.955796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.955796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.955796 (E_RNA)
where:
Base-Base interactions energy: -161.935
where: short stacking energy: -64.529
Base-Backbone interact. energy: -0.618
local terms energy: -78.402445
where:
bonds (distance) C4'-P energy: -13.909
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -13.632
flat angles P-C4'-P energy: -12.825
tors. eta vs tors. theta energy: -19.622
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: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -233.630982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.630982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.630982 (E_RNA)
where:
Base-Base interactions energy: -156.995
where: short stacking energy: -62.483
Base-Backbone interact. energy: -0.846
local terms energy: -75.790127
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -7.844
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: 4, replica: 2
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -242.327418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.327418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.327418 (E_RNA)
where:
Base-Base interactions energy: -167.085
where: short stacking energy: -74.493
Base-Backbone interact. energy: -0.331
local terms energy: -74.911305
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -14.955
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -10.461
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: 5, replica: 1
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -175.255308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.255308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.255308 (E_RNA)
where:
Base-Base interactions energy: -103.970
where: short stacking energy: -51.941
Base-Backbone interact. energy: -0.013
local terms energy: -71.272089
where:
bonds (distance) C4'-P energy: -12.594
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -10.380
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: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -114.108078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.108078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.108078 (E_RNA)
where:
Base-Base interactions energy: -52.049
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.334
local terms energy: -61.724620
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.444
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -9.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -98.303858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.303858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.303858 (E_RNA)
where:
Base-Base interactions energy: -46.046
where: short stacking energy: -41.065
Base-Backbone interact. energy: 0.015
local terms energy: -52.273373
where:
bonds (distance) C4'-P energy: -12.965
bonds (distance) P-C4' energy: -10.586
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -4.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -93.005974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.005974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.005974 (E_RNA)
where:
Base-Base interactions energy: -41.217
where: short stacking energy: -30.924
Base-Backbone interact. energy: -0.689
local terms energy: -51.099420
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -10.018
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -2.337
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: 357
Temperature: 1.300000
Total energy: -84.403866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.403866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.403866 (E_RNA)
where:
Base-Base interactions energy: -36.385
where: short stacking energy: -28.232
Base-Backbone interact. energy: 1.430
local terms energy: -49.449381
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -12.662
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -89.776218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776218 (E_RNA)
where:
Base-Base interactions energy: -40.521
where: short stacking energy: -30.839
Base-Backbone interact. energy: -1.671
local terms energy: -47.584442
where:
bonds (distance) C4'-P energy: -8.224
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -13.219
flat angles P-C4'-P energy: -6.570
tors. eta vs tors. theta energy: 0.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -238.556931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.556931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.556931 (E_RNA)
where:
Base-Base interactions energy: -161.223
where: short stacking energy: -70.211
Base-Backbone interact. energy: -0.422
local terms energy: -76.911849
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -17.150
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -17.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -229.691506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.691506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.691506 (E_RNA)
where:
Base-Base interactions energy: -151.721
where: short stacking energy: -64.342
Base-Backbone interact. energy: -0.365
local terms energy: -77.605394
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.387
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -17.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -237.798630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.798630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.798630 (E_RNA)
where:
Base-Base interactions energy: -162.667
where: short stacking energy: -58.029
Base-Backbone interact. energy: -1.009
local terms energy: -74.122084
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -8.792
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: 4, replica: 4
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -239.223104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.223104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.223104 (E_RNA)
where:
Base-Base interactions energy: -158.852
where: short stacking energy: -72.260
Base-Backbone interact. energy: -1.397
local terms energy: -78.973876
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -12.658
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: 1
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -178.584166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.584166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.584166 (E_RNA)
where:
Base-Base interactions energy: -112.610
where: short stacking energy: -52.176
Base-Backbone interact. energy: -0.108
local terms energy: -65.865481
where:
bonds (distance) C4'-P energy: -11.893
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -13.109
flat angles P-C4'-P energy: -11.907
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: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -113.892771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.892771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.892771 (E_RNA)
where:
Base-Base interactions energy: -69.469
where: short stacking energy: -21.340
Base-Backbone interact. energy: 1.323
local terms energy: -45.746955
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -11.859
flat angles P-C4'-P energy: -7.613
tors. eta vs tors. theta energy: 1.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -103.602026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.602026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.602026 (E_RNA)
where:
Base-Base interactions energy: -52.513
where: short stacking energy: -40.065
Base-Backbone interact. energy: -0.239
local terms energy: -50.850423
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -13.386
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -2.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -84.785098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.785098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.785098 (E_RNA)
where:
Base-Base interactions energy: -35.014
where: short stacking energy: -26.905
Base-Backbone interact. energy: -0.249
local terms energy: -49.522281
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -7.419
tors. eta vs tors. theta energy: 5.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -94.227828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.227828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.227828 (E_RNA)
where:
Base-Base interactions energy: -33.652
where: short stacking energy: -32.468
Base-Backbone interact. energy: -0.445
local terms energy: -60.131246
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -5.463
flat angles P-C4'-P energy: -13.234
tors. eta vs tors. theta energy: -4.894
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: 5
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -84.755673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.755673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.755673 (E_RNA)
where:
Base-Base interactions energy: -31.749
where: short stacking energy: -30.820
Base-Backbone interact. energy: -0.456
local terms energy: -52.551529
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -14.353
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -4.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -243.930735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.930735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.930735 (E_RNA)
where:
Base-Base interactions energy: -165.421
where: short stacking energy: -76.979
Base-Backbone interact. energy: -0.498
local terms energy: -78.011551
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -16.372
flat angles P-C4'-P energy: -11.525
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: 2, replica: 2
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -240.141275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.141275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.141275 (E_RNA)
where:
Base-Base interactions energy: -166.089
where: short stacking energy: -73.774
Base-Backbone interact. energy: -0.262
local terms energy: -73.790922
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -19.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -244.531549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.531549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.531549 (E_RNA)
where:
Base-Base interactions energy: -161.711
where: short stacking energy: -78.945
Base-Backbone interact. energy: -0.264
local terms energy: -82.556319
where:
bonds (distance) C4'-P energy: -16.344
bonds (distance) P-C4' energy: -11.340
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -24.028
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: 359
Temperature: 1.050000
Total energy: -218.317611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.317611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.317611 (E_RNA)
where:
Base-Base interactions energy: -150.413
where: short stacking energy: -67.624
Base-Backbone interact. energy: -0.268
local terms energy: -67.636584
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -8.848
tors. eta vs tors. theta energy: -15.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -204.809595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.809595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.809595 (E_RNA)
where:
Base-Base interactions energy: -129.917
where: short stacking energy: -63.168
Base-Backbone interact. energy: -0.002
local terms energy: -74.890573
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -11.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -102.387521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.387521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.387521 (E_RNA)
where:
Base-Base interactions energy: -41.236
where: short stacking energy: -39.453
Base-Backbone interact. energy: -0.101
local terms energy: -61.049607
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -16.893
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -12.951
tors. eta vs tors. theta energy: -3.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -102.047201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.047201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.047201 (E_RNA)
where:
Base-Base interactions energy: -47.861
where: short stacking energy: -38.575
Base-Backbone interact. energy: -0.063
local terms energy: -54.122592
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -10.868
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -87.254560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.254560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.254560 (E_RNA)
where:
Base-Base interactions energy: -31.638
where: short stacking energy: -28.495
Base-Backbone interact. energy: -0.084
local terms energy: -55.531991
where:
bonds (distance) C4'-P energy: -14.380
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -15.180
flat angles P-C4'-P energy: -7.614
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -85.790670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.790670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.790670 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -28.538
Base-Backbone interact. energy: 0.438
local terms energy: -49.540368
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -14.133
flat angles C4'-P-C4' energy: -12.166
flat angles P-C4'-P energy: -1.920
tors. eta vs tors. theta energy: -4.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -78.795015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.795015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.795015 (E_RNA)
where:
Base-Base interactions energy: -22.655
where: short stacking energy: -21.423
Base-Backbone interact. energy: -0.125
local terms energy: -56.014537
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -16.263
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -5.978
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -244.100878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.100878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.100878 (E_RNA)
where:
Base-Base interactions energy: -165.867
where: short stacking energy: -69.683
Base-Backbone interact. energy: -0.111
local terms energy: -78.123155
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -14.303
flat angles P-C4'-P energy: -13.766
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -243.311330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.311330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.311330 (E_RNA)
where:
Base-Base interactions energy: -165.877
where: short stacking energy: -68.369
Base-Backbone interact. energy: -0.423
local terms energy: -77.011193
where:
bonds (distance) C4'-P energy: -15.108
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -14.524
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -18.289
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: 3, replica: 4
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -246.553264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.553264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.553264 (E_RNA)
where:
Base-Base interactions energy: -167.902
where: short stacking energy: -70.317
Base-Backbone interact. energy: -0.892
local terms energy: -77.758900
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -18.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -234.181314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.181314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.181314 (E_RNA)
where:
Base-Base interactions energy: -158.832
where: short stacking energy: -80.443
Base-Backbone interact. energy: -0.413
local terms energy: -74.936226
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -15.674
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -20.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -197.511309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.511309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.511309 (E_RNA)
where:
Base-Base interactions energy: -129.788
where: short stacking energy: -58.884
Base-Backbone interact. energy: 0.368
local terms energy: -68.091196
where:
bonds (distance) C4'-P energy: -12.993
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -15.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -118.862942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.862942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.862942 (E_RNA)
where:
Base-Base interactions energy: -55.854
where: short stacking energy: -38.508
Base-Backbone interact. energy: -0.146
local terms energy: -62.863518
where:
bonds (distance) C4'-P energy: -18.443
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -90.589159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.589159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.589159 (E_RNA)
where:
Base-Base interactions energy: -30.612
where: short stacking energy: -30.612
Base-Backbone interact. energy: 0.047
local terms energy: -60.024958
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -2.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -91.853511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.853511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.853511 (E_RNA)
where:
Base-Base interactions energy: -38.525
where: short stacking energy: -34.364
Base-Backbone interact. energy: 2.522
local terms energy: -55.851097
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -12.827
flat angles C4'-P-C4' energy: -13.429
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -3.110
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: 5
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -82.485352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.485352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.485352 (E_RNA)
where:
Base-Base interactions energy: -33.302
where: short stacking energy: -33.153
Base-Backbone interact. energy: 0.960
local terms energy: -50.143035
where:
bonds (distance) C4'-P energy: -15.623
bonds (distance) P-C4' energy: -15.008
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -5.920
tors. eta vs tors. theta energy: -1.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -88.282289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.282289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.282289 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -36.938
Base-Backbone interact. energy: -0.005
local terms energy: -51.338538
where:
bonds (distance) C4'-P energy: -7.864
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -245.028398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.028398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.028398 (E_RNA)
where:
Base-Base interactions energy: -169.136
where: short stacking energy: -65.895
Base-Backbone interact. energy: 0.247
local terms energy: -76.139089
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -14.249
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: 2, replica: 4
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -255.483357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.483357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.483357 (E_RNA)
where:
Base-Base interactions energy: -168.217
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.245
local terms energy: -87.020633
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -19.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -224.708286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.708286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.708286 (E_RNA)
where:
Base-Base interactions energy: -155.815
where: short stacking energy: -67.062
Base-Backbone interact. energy: 0.740
local terms energy: -69.633332
where:
bonds (distance) C4'-P energy: -11.583
bonds (distance) P-C4' energy: -16.471
flat angles C4'-P-C4' energy: -17.114
flat angles P-C4'-P energy: -9.996
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: 4, replica: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -227.112634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.112634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.112634 (E_RNA)
where:
Base-Base interactions energy: -149.641
where: short stacking energy: -61.154
Base-Backbone interact. energy: -0.032
local terms energy: -77.440001
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -11.356
tors. eta vs tors. theta energy: -15.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -203.966814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.966814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.966814 (E_RNA)
where:
Base-Base interactions energy: -130.399
where: short stacking energy: -54.370
Base-Backbone interact. energy: 0.170
local terms energy: -73.737766
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -16.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -124.622072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.622072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.622072 (E_RNA)
where:
Base-Base interactions energy: -64.811
where: short stacking energy: -52.363
Base-Backbone interact. energy: -0.385
local terms energy: -59.426601
where:
bonds (distance) C4'-P energy: -8.618
bonds (distance) P-C4' energy: -11.031
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.539
tors. eta vs tors. theta energy: -10.845
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: 3
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -98.381337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.381337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.381337 (E_RNA)
where:
Base-Base interactions energy: -47.101
where: short stacking energy: -31.226
Base-Backbone interact. energy: 0.089
local terms energy: -51.369473
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -14.530
flat angles C4'-P-C4' energy: -10.063
flat angles P-C4'-P energy: -6.851
tors. eta vs tors. theta energy: -8.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -89.313669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.313669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.313669 (E_RNA)
where:
Base-Base interactions energy: -32.399
where: short stacking energy: -31.680
Base-Backbone interact. energy: -0.133
local terms energy: -56.781600
where:
bonds (distance) C4'-P energy: -18.666
bonds (distance) P-C4' energy: -14.569
flat angles C4'-P-C4' energy: -12.600
flat angles P-C4'-P energy: -6.979
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: 9, replica: 5
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -86.697096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.697096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.697096 (E_RNA)
where:
Base-Base interactions energy: -37.178
where: short stacking energy: -30.779
Base-Backbone interact. energy: 2.040
local terms energy: -51.558972
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -15.175
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -5.134
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: 10, replica: 10
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -79.773994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.773994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.773994 (E_RNA)
where:
Base-Base interactions energy: -27.924
where: short stacking energy: -27.910
Base-Backbone interact. energy: -0.201
local terms energy: -51.648695
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -14.041
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: 1.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -255.940287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.940287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.940287 (E_RNA)
where:
Base-Base interactions energy: -175.830
where: short stacking energy: -75.394
Base-Backbone interact. energy: -0.340
local terms energy: -79.770219
where:
bonds (distance) C4'-P energy: -15.035
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.305
flat angles P-C4'-P energy: -9.234
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: 2, replica: 2
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -244.203730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.203730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.203730 (E_RNA)
where:
Base-Base interactions energy: -174.759
where: short stacking energy: -53.147
Base-Backbone interact. energy: -0.322
local terms energy: -69.122581
where:
bonds (distance) C4'-P energy: -18.703
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -12.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -229.234936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.234936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.234936 (E_RNA)
where:
Base-Base interactions energy: -165.755
where: short stacking energy: -60.260
Base-Backbone interact. energy: -0.623
local terms energy: -62.857373
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -15.742
flat angles P-C4'-P energy: -3.784
tors. eta vs tors. theta energy: -12.871
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: 6
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -241.669001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.669001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.669001 (E_RNA)
where:
Base-Base interactions energy: -166.682
where: short stacking energy: -63.795
Base-Backbone interact. energy: 0.118
local terms energy: -75.104790
where:
bonds (distance) C4'-P energy: -14.447
bonds (distance) P-C4' energy: -15.355
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -19.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -190.697260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.697260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.697260 (E_RNA)
where:
Base-Base interactions energy: -118.708
where: short stacking energy: -46.178
Base-Backbone interact. energy: -0.212
local terms energy: -71.776533
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -15.012
flat angles P-C4'-P energy: -12.830
tors. eta vs tors. theta energy: -10.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -155.658169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.658169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.658169 (E_RNA)
where:
Base-Base interactions energy: -105.783
where: short stacking energy: -44.513
Base-Backbone interact. energy: -1.453
local terms energy: -48.422399
where:
bonds (distance) C4'-P energy: -7.554
bonds (distance) P-C4' energy: -12.526
flat angles C4'-P-C4' energy: -12.526
flat angles P-C4'-P energy: -5.055
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -92.505815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.505815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.505815 (E_RNA)
where:
Base-Base interactions energy: -40.579
where: short stacking energy: -26.239
Base-Backbone interact. energy: 3.574
local terms energy: -55.501069
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -15.044
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -5.464
tors. eta vs tors. theta energy: -2.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -98.894005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.894005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.894005 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.543
local terms energy: -63.288967
where:
bonds (distance) C4'-P energy: -16.494
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -16.002
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -1.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -94.004427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.004427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.004427 (E_RNA)
where:
Base-Base interactions energy: -36.531
where: short stacking energy: -34.352
Base-Backbone interact. energy: -0.122
local terms energy: -57.351026
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -7.396
tors. eta vs tors. theta energy: -3.316
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: 5
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -95.110797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.110797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.110797 (E_RNA)
where:
Base-Base interactions energy: -44.914
where: short stacking energy: -43.772
Base-Backbone interact. energy: -0.213
local terms energy: -49.983092
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -12.918
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -8.265
tors. eta vs tors. theta energy: -2.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -258.583080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.583080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.583080 (E_RNA)
where:
Base-Base interactions energy: -172.841
where: short stacking energy: -68.913
Base-Backbone interact. energy: -0.184
local terms energy: -85.557896
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -14.060
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -238.857602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.857602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.857602 (E_RNA)
where:
Base-Base interactions energy: -168.351
where: short stacking energy: -67.735
Base-Backbone interact. energy: 0.386
local terms energy: -70.892544
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -2.669
tors. eta vs tors. theta energy: -13.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -243.430041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.430041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.430041 (E_RNA)
where:
Base-Base interactions energy: -175.051
where: short stacking energy: -73.777
Base-Backbone interact. energy: -0.225
local terms energy: -68.154489
where:
bonds (distance) C4'-P energy: -14.457
bonds (distance) P-C4' energy: -11.337
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -10.895
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: 4, replica: 6
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -245.705712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.705712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.705712 (E_RNA)
where:
Base-Base interactions energy: -168.244
where: short stacking energy: -67.468
Base-Backbone interact. energy: -0.987
local terms energy: -76.474433
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -18.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -190.995792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.995792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.995792 (E_RNA)
where:
Base-Base interactions energy: -114.863
where: short stacking energy: -63.684
Base-Backbone interact. energy: -0.072
local terms energy: -76.061332
where:
bonds (distance) C4'-P energy: -18.037
bonds (distance) P-C4' energy: -15.946
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -17.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -105.528292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.528292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.528292 (E_RNA)
where:
Base-Base interactions energy: -41.547
where: short stacking energy: -41.105
Base-Backbone interact. energy: 0.937
local terms energy: -64.918654
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -7.340
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: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -175.458730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.458730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.458730 (E_RNA)
where:
Base-Base interactions energy: -102.924
where: short stacking energy: -44.277
Base-Backbone interact. energy: -0.042
local terms energy: -72.492259
where:
bonds (distance) C4'-P energy: -16.790
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -10.546
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: 8, replica: 10
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -97.583569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583569 (E_RNA)
where:
Base-Base interactions energy: -36.156
where: short stacking energy: -36.156
Base-Backbone interact. energy: -0.093
local terms energy: -61.335235
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.471
flat angles P-C4'-P energy: -8.042
tors. eta vs tors. theta energy: -7.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.888224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.888224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.888224 (E_RNA)
where:
Base-Base interactions energy: -37.939
where: short stacking energy: -34.524
Base-Backbone interact. energy: -0.017
local terms energy: -49.932020
where:
bonds (distance) C4'-P energy: -5.017
bonds (distance) P-C4' energy: -11.447
flat angles C4'-P-C4' energy: -14.482
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -80.348739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.348739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.348739 (E_RNA)
where:
Base-Base interactions energy: -31.534
where: short stacking energy: -17.401
Base-Backbone interact. energy: -0.178
local terms energy: -48.636776
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -8.281
tors. eta vs tors. theta energy: 5.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -260.431408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.431408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.431408 (E_RNA)
where:
Base-Base interactions energy: -180.958
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.514
local terms energy: -78.959514
where:
bonds (distance) C4'-P energy: -16.285
bonds (distance) P-C4' energy: -13.846
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -12.555
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -255.605805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.605805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.605805 (E_RNA)
where:
Base-Base interactions energy: -173.822
where: short stacking energy: -70.486
Base-Backbone interact. energy: -0.715
local terms energy: -81.069080
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -11.444
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: 3, replica: 6
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -241.806385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.806385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.806385 (E_RNA)
where:
Base-Base interactions energy: -166.405
where: short stacking energy: -58.435
Base-Backbone interact. energy: -0.673
local terms energy: -74.728211
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -14.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -230.773212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.773212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.773212 (E_RNA)
where:
Base-Base interactions energy: -153.623
where: short stacking energy: -64.690
Base-Backbone interact. energy: 0.137
local terms energy: -77.286550
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -202.439039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.439039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.439039 (E_RNA)
where:
Base-Base interactions energy: -140.786
where: short stacking energy: -52.275
Base-Backbone interact. energy: -0.989
local terms energy: -60.663940
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -13.589
flat angles C4'-P-C4' energy: -13.957
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -7.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -111.755977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.755977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.755977 (E_RNA)
where:
Base-Base interactions energy: -56.751
where: short stacking energy: -40.261
Base-Backbone interact. energy: -0.226
local terms energy: -54.778669
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.886
flat angles C4'-P-C4' energy: -12.756
flat angles P-C4'-P energy: -7.852
tors. eta vs tors. theta energy: -3.582
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: 8
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -155.935296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.935296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.935296 (E_RNA)
where:
Base-Base interactions energy: -99.234
where: short stacking energy: -45.274
Base-Backbone interact. energy: 0.330
local terms energy: -57.031508
where:
bonds (distance) C4'-P energy: -6.139
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -12.721
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -10.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -89.078976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.078976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.078976 (E_RNA)
where:
Base-Base interactions energy: -35.683
where: short stacking energy: -35.683
Base-Backbone interact. energy: -0.078
local terms energy: -53.318843
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -12.187
flat angles C4'-P-C4' energy: -11.044
flat angles P-C4'-P energy: -11.717
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: 5
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -102.785661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.785661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.785661 (E_RNA)
where:
Base-Base interactions energy: -44.135
where: short stacking energy: -28.695
Base-Backbone interact. energy: -0.174
local terms energy: -58.477006
where:
bonds (distance) C4'-P energy: -15.658
bonds (distance) P-C4' energy: -10.488
flat angles C4'-P-C4' energy: -15.273
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -4.004
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: 3
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -84.679475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.679475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.679475 (E_RNA)
where:
Base-Base interactions energy: -34.348
where: short stacking energy: -34.348
Base-Backbone interact. energy: 2.491
local terms energy: -52.822793
where:
bonds (distance) C4'-P energy: -12.613
bonds (distance) P-C4' energy: -14.884
flat angles C4'-P-C4' energy: -14.688
flat angles P-C4'-P energy: -1.338
tors. eta vs tors. theta energy: -9.300
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: 4
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -250.020662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.020662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.020662 (E_RNA)
where:
Base-Base interactions energy: -166.429
where: short stacking energy: -77.419
Base-Backbone interact. energy: -0.257
local terms energy: -83.335023
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -21.461
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: 6
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -244.464843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.464843 (E_RNA)
where:
Base-Base interactions energy: -171.791
where: short stacking energy: -63.796
Base-Backbone interact. energy: -0.400
local terms energy: -72.273795
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -14.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -236.128896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.128896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.128896 (E_RNA)
where:
Base-Base interactions energy: -164.711
where: short stacking energy: -69.252
Base-Backbone interact. energy: 0.074
local terms energy: -71.491434
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -11.582
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -230.301300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.301300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.301300 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -69.273
Base-Backbone interact. energy: -0.575
local terms energy: -75.741407
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -14.298
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -10.108
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: 5, replica: 1
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -183.396850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.396850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.396850 (E_RNA)
where:
Base-Base interactions energy: -111.828
where: short stacking energy: -52.914
Base-Backbone interact. energy: 0.331
local terms energy: -71.899789
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -17.748
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -8.726
tors. eta vs tors. theta energy: -11.244
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: 365
Temperature: 1.150000
Total energy: -115.159749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.159749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.159749 (E_RNA)
where:
Base-Base interactions energy: -62.533
where: short stacking energy: -31.450
Base-Backbone interact. energy: -0.871
local terms energy: -51.755955
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -16.237
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -3.199
tors. eta vs tors. theta energy: -4.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -104.227245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.227245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.227245 (E_RNA)
where:
Base-Base interactions energy: -54.028
where: short stacking energy: -29.879
Base-Backbone interact. energy: -0.732
local terms energy: -49.466750
where:
bonds (distance) C4'-P energy: -8.733
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -7.945
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: 0.198
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: 10
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -94.034640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.034640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.034640 (E_RNA)
where:
Base-Base interactions energy: -38.507
where: short stacking energy: -38.507
Base-Backbone interact. energy: -0.006
local terms energy: -55.521125
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -12.890
flat angles C4'-P-C4' energy: -9.400
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -5.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -99.008614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.008614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.008614 (E_RNA)
where:
Base-Base interactions energy: -56.060
where: short stacking energy: -35.020
Base-Backbone interact. energy: 0.555
local terms energy: -43.503737
where:
bonds (distance) C4'-P energy: -9.935
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -9.443
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -77.621972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.621972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.621972 (E_RNA)
where:
Base-Base interactions energy: -22.173
where: short stacking energy: -18.044
Base-Backbone interact. energy: -0.204
local terms energy: -55.244731
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -16.190
flat angles P-C4'-P energy: -7.337
tors. eta vs tors. theta energy: -1.410
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: 4
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -245.700521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.700521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.700521 (E_RNA)
where:
Base-Base interactions energy: -163.948
where: short stacking energy: -81.527
Base-Backbone interact. energy: -0.563
local terms energy: -81.189650
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -9.082
tors. eta vs tors. theta energy: -21.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -254.068608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.068608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.068608 (E_RNA)
where:
Base-Base interactions energy: -174.072
where: short stacking energy: -74.600
Base-Backbone interact. energy: -0.187
local terms energy: -79.809768
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -239.746628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.746628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.746628 (E_RNA)
where:
Base-Base interactions energy: -162.448
where: short stacking energy: -69.878
Base-Backbone interact. energy: 0.782
local terms energy: -78.080050
where:
bonds (distance) C4'-P energy: -16.964
bonds (distance) P-C4' energy: -16.784
flat angles C4'-P-C4' energy: -16.037
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -18.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -233.884816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.884816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.884816 (E_RNA)
where:
Base-Base interactions energy: -156.041
where: short stacking energy: -63.046
Base-Backbone interact. energy: -0.297
local terms energy: -77.546308
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -15.849
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -17.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -172.239080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.239080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.239080 (E_RNA)
where:
Base-Base interactions energy: -104.309
where: short stacking energy: -45.122
Base-Backbone interact. energy: -0.917
local terms energy: -67.013526
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -17.684
flat angles C4'-P-C4' energy: -12.791
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -12.144
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: 6, replica: 8
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -112.077055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.077055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.077055 (E_RNA)
where:
Base-Base interactions energy: -46.528
where: short stacking energy: -46.528
Base-Backbone interact. energy: 0.008
local terms energy: -65.556583
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -17.978
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -9.491
tors. eta vs tors. theta energy: -5.646
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: 7, replica: 10
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -99.886930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.886930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.886930 (E_RNA)
where:
Base-Base interactions energy: -38.085
where: short stacking energy: -37.617
Base-Backbone interact. energy: 0.309
local terms energy: -62.110768
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -15.264
flat angles C4'-P-C4' energy: -18.734
flat angles P-C4'-P energy: -4.933
tors. eta vs tors. theta energy: -8.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -92.464363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.464363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.464363 (E_RNA)
where:
Base-Base interactions energy: -35.873
where: short stacking energy: -26.662
Base-Backbone interact. energy: -1.104
local terms energy: -55.487745
where:
bonds (distance) C4'-P energy: -12.129
bonds (distance) P-C4' energy: -13.474
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -9.646
tors. eta vs tors. theta energy: -0.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -98.795161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.795161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.795161 (E_RNA)
where:
Base-Base interactions energy: -48.634
where: short stacking energy: -40.937
Base-Backbone interact. energy: 0.084
local terms energy: -50.245483
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -11.859
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -3.822
tors. eta vs tors. theta energy: -3.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -111.272358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.272358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.272358 (E_RNA)
where:
Base-Base interactions energy: -52.356
where: short stacking energy: -29.666
Base-Backbone interact. energy: -0.539
local terms energy: -58.376956
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -17.783
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -9.648
tors. eta vs tors. theta energy: -1.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -246.258316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.258316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.258316 (E_RNA)
where:
Base-Base interactions energy: -159.565
where: short stacking energy: -77.374
Base-Backbone interact. energy: -0.328
local terms energy: -86.365158
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -19.119
flat angles P-C4'-P energy: -11.058
tors. eta vs tors. theta energy: -23.654
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: 6
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -250.796023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.796023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.796023 (E_RNA)
where:
Base-Base interactions energy: -175.311
where: short stacking energy: -62.424
Base-Backbone interact. energy: -0.917
local terms energy: -74.568201
where:
bonds (distance) C4'-P energy: -13.708
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.090
tors. eta vs tors. theta energy: -17.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -230.356453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.356453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.356453 (E_RNA)
where:
Base-Base interactions energy: -161.021
where: short stacking energy: -63.086
Base-Backbone interact. energy: -0.331
local terms energy: -69.004305
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -12.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -234.930478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.930478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.930478 (E_RNA)
where:
Base-Base interactions energy: -161.545
where: short stacking energy: -63.844
Base-Backbone interact. energy: 0.683
local terms energy: -74.068382
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -14.815
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -10.911
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: 5, replica: 1
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -175.952726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.952726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.952726 (E_RNA)
where:
Base-Base interactions energy: -112.766
where: short stacking energy: -58.510
Base-Backbone interact. energy: -0.262
local terms energy: -62.924291
where:
bonds (distance) C4'-P energy: -16.997
bonds (distance) P-C4' energy: -10.759
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -10.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -125.457912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.457912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.457912 (E_RNA)
where:
Base-Base interactions energy: -56.523
where: short stacking energy: -51.138
Base-Backbone interact. energy: -0.058
local terms energy: -68.876449
where:
bonds (distance) C4'-P energy: -6.842
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -13.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -92.053235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.053235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.053235 (E_RNA)
where:
Base-Base interactions energy: -39.927
where: short stacking energy: -28.061
Base-Backbone interact. energy: -0.174
local terms energy: -51.952726
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -14.474
flat angles C4'-P-C4' energy: -9.712
flat angles P-C4'-P energy: -7.322
tors. eta vs tors. theta energy: -2.756
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: 3
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -86.289894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.289894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.289894 (E_RNA)
where:
Base-Base interactions energy: -37.221
where: short stacking energy: -37.221
Base-Backbone interact. energy: -0.175
local terms energy: -48.893637
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -8.724
flat angles P-C4'-P energy: -6.845
tors. eta vs tors. theta energy: -3.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -83.421007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.421007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.421007 (E_RNA)
where:
Base-Base interactions energy: -37.166
where: short stacking energy: -34.594
Base-Backbone interact. energy: -0.193
local terms energy: -46.061865
where:
bonds (distance) C4'-P energy: -9.090
bonds (distance) P-C4' energy: -14.509
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -6.391
tors. eta vs tors. theta energy: -3.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -78.490860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.490860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.490860 (E_RNA)
where:
Base-Base interactions energy: -30.648
where: short stacking energy: -25.344
Base-Backbone interact. energy: 1.186
local terms energy: -49.028522
where:
bonds (distance) C4'-P energy: -10.619
bonds (distance) P-C4' energy: -7.969
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -9.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -259.718900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.718900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.718900 (E_RNA)
where:
Base-Base interactions energy: -176.909
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.073
local terms energy: -82.737448
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -19.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -242.168842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.168842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.168842 (E_RNA)
where:
Base-Base interactions energy: -162.270
where: short stacking energy: -74.051
Base-Backbone interact. energy: 1.868
local terms energy: -81.766815
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -16.426
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -10.102
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -232.406198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.406198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.406198 (E_RNA)
where:
Base-Base interactions energy: -163.371
where: short stacking energy: -67.228
Base-Backbone interact. energy: -0.226
local terms energy: -68.808962
where:
bonds (distance) C4'-P energy: -11.468
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -9.583
tors. eta vs tors. theta energy: -18.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -231.872148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.872148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.872148 (E_RNA)
where:
Base-Base interactions energy: -163.835
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.365
local terms energy: -67.671834
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -12.029
flat angles C4'-P-C4' energy: -13.509
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -13.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -199.434918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.434918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.434918 (E_RNA)
where:
Base-Base interactions energy: -129.273
where: short stacking energy: -60.600
Base-Backbone interact. energy: -0.028
local terms energy: -70.134211
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -14.972
flat angles C4'-P-C4' energy: -15.363
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -12.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -106.305346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.305346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.305346 (E_RNA)
where:
Base-Base interactions energy: -46.823
where: short stacking energy: -35.955
Base-Backbone interact. energy: -0.098
local terms energy: -59.384200
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -10.860
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: 7, replica: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -95.774280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.774280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.774280 (E_RNA)
where:
Base-Base interactions energy: -40.038
where: short stacking energy: -29.017
Base-Backbone interact. energy: -0.053
local terms energy: -55.683695
where:
bonds (distance) C4'-P energy: -13.355
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -9.743
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: 8, replica: 3
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -98.187092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.187092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.187092 (E_RNA)
where:
Base-Base interactions energy: -35.175
where: short stacking energy: -35.168
Base-Backbone interact. energy: -0.355
local terms energy: -62.657680
where:
bonds (distance) C4'-P energy: -17.378
bonds (distance) P-C4' energy: -20.663
flat angles C4'-P-C4' energy: -11.863
flat angles P-C4'-P energy: -6.675
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: 9, replica: 5
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -87.124476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124476 (E_RNA)
where:
Base-Base interactions energy: -28.552
where: short stacking energy: -25.855
Base-Backbone interact. energy: -0.090
local terms energy: -58.481894
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -4.891
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: 7
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -77.565389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.565389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.565389 (E_RNA)
where:
Base-Base interactions energy: -19.139
where: short stacking energy: -19.139
Base-Backbone interact. energy: -0.194
local terms energy: -58.232105
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.599
tors. eta vs tors. theta energy: -1.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -252.299059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.299059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.299059 (E_RNA)
where:
Base-Base interactions energy: -176.055
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.362
local terms energy: -75.882089
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -17.018
flat angles C4'-P-C4' energy: -15.016
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -18.029
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: 369
Temperature: 0.950000
Total energy: -229.667201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.667201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.667201 (E_RNA)
where:
Base-Base interactions energy: -151.667
where: short stacking energy: -74.188
Base-Backbone interact. energy: -0.353
local terms energy: -77.646780
where:
bonds (distance) C4'-P energy: -15.152
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -17.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -241.324734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.324734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.324734 (E_RNA)
where:
Base-Base interactions energy: -158.040
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.427
local terms energy: -82.857097
where:
bonds (distance) C4'-P energy: -14.403
bonds (distance) P-C4' energy: -16.707
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -226.091867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.091867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.091867 (E_RNA)
where:
Base-Base interactions energy: -153.417
where: short stacking energy: -65.875
Base-Backbone interact. energy: 0.672
local terms energy: -73.346841
where:
bonds (distance) C4'-P energy: -11.222
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -20.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -185.444512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.444512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.444512 (E_RNA)
where:
Base-Base interactions energy: -110.193
where: short stacking energy: -62.934
Base-Backbone interact. energy: -0.281
local terms energy: -74.970290
where:
bonds (distance) C4'-P energy: -13.090
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -8.552
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -128.788711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.788711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.788711 (E_RNA)
where:
Base-Base interactions energy: -72.145
where: short stacking energy: -42.275
Base-Backbone interact. energy: -0.175
local terms energy: -56.468270
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -18.023
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -4.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -101.576212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.576212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.576212 (E_RNA)
where:
Base-Base interactions energy: -50.750
where: short stacking energy: -39.746
Base-Backbone interact. energy: 4.177
local terms energy: -55.003617
where:
bonds (distance) C4'-P energy: -12.543
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -94.797902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.797902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.797902 (E_RNA)
where:
Base-Base interactions energy: -30.083
where: short stacking energy: -27.116
Base-Backbone interact. energy: -0.188
local terms energy: -64.526208
where:
bonds (distance) C4'-P energy: -13.843
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -13.381
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -7.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -88.306544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.306544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.306544 (E_RNA)
where:
Base-Base interactions energy: -32.288
where: short stacking energy: -30.071
Base-Backbone interact. energy: -0.225
local terms energy: -55.794443
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -11.261
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -14.099
tors. eta vs tors. theta energy: -2.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -81.656246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.656246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.656246 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -39.828
Base-Backbone interact. energy: -0.049
local terms energy: -41.134883
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -11.533
flat angles C4'-P-C4' energy: -10.779
flat angles P-C4'-P energy: -3.431
tors. eta vs tors. theta energy: -5.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -247.418701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.418701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.418701 (E_RNA)
where:
Base-Base interactions energy: -162.873
where: short stacking energy: -78.432
Base-Backbone interact. energy: 1.001
local terms energy: -85.546632
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -11.622
tors. eta vs tors. theta energy: -21.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -247.853117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.853117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.853117 (E_RNA)
where:
Base-Base interactions energy: -176.882
where: short stacking energy: -74.709
Base-Backbone interact. energy: -0.323
local terms energy: -70.648355
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -18.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -221.305308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.305308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.305308 (E_RNA)
where:
Base-Base interactions energy: -140.888
where: short stacking energy: -64.926
Base-Backbone interact. energy: -0.356
local terms energy: -80.061822
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -226.345644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.345644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.345644 (E_RNA)
where:
Base-Base interactions energy: -150.802
where: short stacking energy: -71.475
Base-Backbone interact. energy: -0.408
local terms energy: -75.135532
where:
bonds (distance) C4'-P energy: -13.411
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -19.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -179.349732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.349732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.349732 (E_RNA)
where:
Base-Base interactions energy: -112.477
where: short stacking energy: -63.264
Base-Backbone interact. energy: 0.232
local terms energy: -67.105299
where:
bonds (distance) C4'-P energy: -14.817
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: -18.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -140.550753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.550753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.550753 (E_RNA)
where:
Base-Base interactions energy: -86.791
where: short stacking energy: -33.755
Base-Backbone interact. energy: -0.105
local terms energy: -53.653897
where:
bonds (distance) C4'-P energy: -10.267
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -8.542
tors. eta vs tors. theta energy: -7.529
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: 370
Temperature: 1.200000
Total energy: -111.506788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.506788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.506788 (E_RNA)
where:
Base-Base interactions energy: -54.765
where: short stacking energy: -49.685
Base-Backbone interact. energy: -0.083
local terms energy: -56.659586
where:
bonds (distance) C4'-P energy: -5.712
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -8.034
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: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -95.530349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.530349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.530349 (E_RNA)
where:
Base-Base interactions energy: -34.117
where: short stacking energy: -33.488
Base-Backbone interact. energy: -0.062
local terms energy: -61.352084
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -15.819
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -3.508
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: 9, replica: 7
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -87.555285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.555285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.555285 (E_RNA)
where:
Base-Base interactions energy: -32.064
where: short stacking energy: -32.984
Base-Backbone interact. energy: 1.236
local terms energy: -56.726720
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -15.563
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -7.109
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: 3
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -94.598757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.598757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.598757 (E_RNA)
where:
Base-Base interactions energy: -41.934
where: short stacking energy: -41.934
Base-Backbone interact. energy: 0.841
local terms energy: -53.505531
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -18.556
flat angles C4'-P-C4' energy: -12.120
flat angles P-C4'-P energy: -3.122
tors. eta vs tors. theta energy: -3.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -246.453409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.453409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.453409 (E_RNA)
where:
Base-Base interactions energy: -160.772
where: short stacking energy: -79.946
Base-Backbone interact. energy: -0.635
local terms energy: -85.046416
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -248.471224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.471224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.471224 (E_RNA)
where:
Base-Base interactions energy: -181.453
where: short stacking energy: -76.150
Base-Backbone interact. energy: -0.110
local terms energy: -66.908724
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -11.232
flat angles C4'-P-C4' energy: -12.582
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -233.474028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.474028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.474028 (E_RNA)
where:
Base-Base interactions energy: -158.317
where: short stacking energy: -56.079
Base-Backbone interact. energy: -0.877
local terms energy: -74.280355
where:
bonds (distance) C4'-P energy: -13.467
bonds (distance) P-C4' energy: -13.738
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -17.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -234.648646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.648646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.648646 (E_RNA)
where:
Base-Base interactions energy: -161.166
where: short stacking energy: -67.857
Base-Backbone interact. energy: -1.464
local terms energy: -72.018632
where:
bonds (distance) C4'-P energy: -18.108
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -11.742
flat angles P-C4'-P energy: -8.820
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: 5, replica: 1
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -183.385975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.385975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.385975 (E_RNA)
where:
Base-Base interactions energy: -112.443
where: short stacking energy: -54.571
Base-Backbone interact. energy: -0.031
local terms energy: -70.911881
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -9.087
tors. eta vs tors. theta energy: -18.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -175.230031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.230031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.230031 (E_RNA)
where:
Base-Base interactions energy: -110.182
where: short stacking energy: -60.111
Base-Backbone interact. energy: -0.174
local terms energy: -64.873840
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -5.038
tors. eta vs tors. theta energy: -13.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -94.920914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.920914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.920914 (E_RNA)
where:
Base-Base interactions energy: -34.601
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.143
local terms energy: -60.176640
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -12.076
flat angles P-C4'-P energy: -5.653
tors. eta vs tors. theta energy: -8.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -114.234291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.234291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.234291 (E_RNA)
where:
Base-Base interactions energy: -46.781
where: short stacking energy: -41.686
Base-Backbone interact. energy: -0.081
local terms energy: -67.372761
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -15.116
flat angles P-C4'-P energy: -11.310
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: 10
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -78.511779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.511779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.511779 (E_RNA)
where:
Base-Base interactions energy: -29.152
where: short stacking energy: -27.880
Base-Backbone interact. energy: -0.217
local terms energy: -49.143605
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -9.520
flat angles C4'-P-C4' energy: -11.519
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -78.207969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.207969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.207969 (E_RNA)
where:
Base-Base interactions energy: -18.908
where: short stacking energy: -18.271
Base-Backbone interact. energy: 0.110
local terms energy: -59.409834
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -15.934
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -1.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -254.207360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.207360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.207360 (E_RNA)
where:
Base-Base interactions energy: -172.935
where: short stacking energy: -64.832
Base-Backbone interact. energy: -0.372
local terms energy: -80.900519
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -12.429
tors. eta vs tors. theta energy: -15.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -241.027081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.027081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.027081 (E_RNA)
where:
Base-Base interactions energy: -160.952
where: short stacking energy: -75.983
Base-Backbone interact. energy: -0.920
local terms energy: -79.154326
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -16.871
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -9.973
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -233.844993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.844993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.844993 (E_RNA)
where:
Base-Base interactions energy: -158.452
where: short stacking energy: -75.965
Base-Backbone interact. energy: -1.023
local terms energy: -74.370151
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -4.393
tors. eta vs tors. theta energy: -22.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -222.214299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.214299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.214299 (E_RNA)
where:
Base-Base interactions energy: -153.221
where: short stacking energy: -62.462
Base-Backbone interact. energy: -1.054
local terms energy: -67.939233
where:
bonds (distance) C4'-P energy: -12.064
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -16.464
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -11.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -192.908015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.908015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.908015 (E_RNA)
where:
Base-Base interactions energy: -120.308
where: short stacking energy: -68.003
Base-Backbone interact. energy: -0.003
local terms energy: -72.596311
where:
bonds (distance) C4'-P energy: -12.659
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -22.883
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: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -134.681465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.681465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.681465 (E_RNA)
where:
Base-Base interactions energy: -70.777
where: short stacking energy: -38.897
Base-Backbone interact. energy: -0.372
local terms energy: -63.532536
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -17.786
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -10.398
tors. eta vs tors. theta energy: -4.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -99.569675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.569675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.569675 (E_RNA)
where:
Base-Base interactions energy: -51.524
where: short stacking energy: -34.134
Base-Backbone interact. energy: -0.777
local terms energy: -47.268874
where:
bonds (distance) C4'-P energy: -9.512
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.594
flat angles P-C4'-P energy: -5.355
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: 8, replica: 5
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -109.722768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.722768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.722768 (E_RNA)
where:
Base-Base interactions energy: -45.033
where: short stacking energy: -45.033
Base-Backbone interact. energy: -0.022
local terms energy: -64.667082
where:
bonds (distance) C4'-P energy: -15.080
bonds (distance) P-C4' energy: -14.232
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -7.443
tors. eta vs tors. theta energy: -9.896
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: 3
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -87.720663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.720663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.720663 (E_RNA)
where:
Base-Base interactions energy: -32.125
where: short stacking energy: -29.721
Base-Backbone interact. energy: -0.210
local terms energy: -55.386166
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -1.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -92.948314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.948314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.948314 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -27.212
Base-Backbone interact. energy: -0.869
local terms energy: -50.515006
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -12.840
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -4.391
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -253.408488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.408488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.408488 (E_RNA)
where:
Base-Base interactions energy: -175.547
where: short stacking energy: -68.212
Base-Backbone interact. energy: -0.441
local terms energy: -77.420273
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -13.732
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: -17.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -232.274872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.274872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.274872 (E_RNA)
where:
Base-Base interactions energy: -158.664
where: short stacking energy: -70.852
Base-Backbone interact. energy: -0.343
local terms energy: -73.268116
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -9.418
flat angles C4'-P-C4' energy: -15.685
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -231.611599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.611599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.611599 (E_RNA)
where:
Base-Base interactions energy: -150.163
where: short stacking energy: -67.681
Base-Backbone interact. energy: -0.201
local terms energy: -81.247076
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -14.022
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -217.310104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.310104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.310104 (E_RNA)
where:
Base-Base interactions energy: -144.880
where: short stacking energy: -71.309
Base-Backbone interact. energy: -0.056
local terms energy: -72.373753
where:
bonds (distance) C4'-P energy: -13.678
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -13.930
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -223.086296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.086296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.086296 (E_RNA)
where:
Base-Base interactions energy: -149.557
where: short stacking energy: -53.369
Base-Backbone interact. energy: -0.614
local terms energy: -72.915090
where:
bonds (distance) C4'-P energy: -18.111
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -13.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -151.284091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.284091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.284091 (E_RNA)
where:
Base-Base interactions energy: -82.319
where: short stacking energy: -49.805
Base-Backbone interact. energy: -0.562
local terms energy: -68.402266
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -12.401
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -12.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -119.165706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.165706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.165706 (E_RNA)
where:
Base-Base interactions energy: -53.198
where: short stacking energy: -49.764
Base-Backbone interact. energy: -0.001
local terms energy: -65.966220
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -11.061
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -12.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -92.957403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957403 (E_RNA)
where:
Base-Base interactions energy: -28.064
where: short stacking energy: -26.421
Base-Backbone interact. energy: -0.140
local terms energy: -64.753919
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: -1.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -92.088233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.088233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.088233 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -24.205
Base-Backbone interact. energy: -0.292
local terms energy: -58.326251
where:
bonds (distance) C4'-P energy: -15.483
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -10.575
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -2.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -88.225347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.225347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.225347 (E_RNA)
where:
Base-Base interactions energy: -34.838
where: short stacking energy: -34.213
Base-Backbone interact. energy: -0.111
local terms energy: -53.276666
where:
bonds (distance) C4'-P energy: -11.149
bonds (distance) P-C4' energy: -19.485
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -2.083
tors. eta vs tors. theta energy: -6.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -256.623554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.623554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.623554 (E_RNA)
where:
Base-Base interactions energy: -173.717
where: short stacking energy: -77.063
Base-Backbone interact. energy: -0.068
local terms energy: -82.838660
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -18.583
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -11.354
tors. eta vs tors. theta energy: -18.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -235.575824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.575824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.575824 (E_RNA)
where:
Base-Base interactions energy: -155.744
where: short stacking energy: -66.132
Base-Backbone interact. energy: -0.256
local terms energy: -79.576297
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -13.249
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: 3, replica: 4
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -233.031784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.031784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.031784 (E_RNA)
where:
Base-Base interactions energy: -155.747
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.422
local terms energy: -76.863337
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -13.094
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -16.422
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: 1
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -204.244757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.244757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.244757 (E_RNA)
where:
Base-Base interactions energy: -135.305
where: short stacking energy: -62.309
Base-Backbone interact. energy: 0.533
local terms energy: -69.472425
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -16.315
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -7.327
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -198.097409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.097409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.097409 (E_RNA)
where:
Base-Base interactions energy: -137.109
where: short stacking energy: -46.423
Base-Backbone interact. energy: -0.303
local terms energy: -60.685335
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -18.626
flat angles C4'-P-C4' energy: -12.024
flat angles P-C4'-P energy: -4.955
tors. eta vs tors. theta energy: -11.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -139.567920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.567920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.567920 (E_RNA)
where:
Base-Base interactions energy: -79.839
where: short stacking energy: -41.188
Base-Backbone interact. energy: -0.226
local terms energy: -59.502718
where:
bonds (distance) C4'-P energy: -19.859
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -12.559
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -5.581
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: 3
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -94.101102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.101102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.101102 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -31.848
Base-Backbone interact. energy: -0.029
local terms energy: -59.270623
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -11.008
flat angles C4'-P-C4' energy: -16.413
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -101.409914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.409914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.409914 (E_RNA)
where:
Base-Base interactions energy: -37.755
where: short stacking energy: -37.755
Base-Backbone interact. energy: -0.075
local terms energy: -63.580514
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -7.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -97.204896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.204896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.204896 (E_RNA)
where:
Base-Base interactions energy: -42.034
where: short stacking energy: -21.763
Base-Backbone interact. energy: 0.471
local terms energy: -55.641884
where:
bonds (distance) C4'-P energy: -12.042
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.897
tors. eta vs tors. theta energy: 0.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -77.369023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.369023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.369023 (E_RNA)
where:
Base-Base interactions energy: -29.355
where: short stacking energy: -29.355
Base-Backbone interact. energy: -0.023
local terms energy: -47.991228
where:
bonds (distance) C4'-P energy: -11.045
bonds (distance) P-C4' energy: -13.383
flat angles C4'-P-C4' energy: -16.092
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: 1.469
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: 2
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -251.655541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.655541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.655541 (E_RNA)
where:
Base-Base interactions energy: -173.234
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.077
local terms energy: -78.343948
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -15.169
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -16.963
tors. eta vs tors. theta energy: -17.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -243.801798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.801798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.801798 (E_RNA)
where:
Base-Base interactions energy: -170.469
where: short stacking energy: -73.257
Base-Backbone interact. energy: -0.369
local terms energy: -72.963475
where:
bonds (distance) C4'-P energy: -11.423
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -11.652
tors. eta vs tors. theta energy: -17.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -235.692210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.692210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.692210 (E_RNA)
where:
Base-Base interactions energy: -156.330
where: short stacking energy: -61.949
Base-Backbone interact. energy: 0.177
local terms energy: -79.539821
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -226.243927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.243927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.243927 (E_RNA)
where:
Base-Base interactions energy: -164.211
where: short stacking energy: -60.614
Base-Backbone interact. energy: 0.514
local terms energy: -62.546390
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -13.750
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -16.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -204.281551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.281551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.281551 (E_RNA)
where:
Base-Base interactions energy: -133.500
where: short stacking energy: -53.806
Base-Backbone interact. energy: -0.065
local terms energy: -70.716423
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -14.035
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -16.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -105.764792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.764792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.764792 (E_RNA)
where:
Base-Base interactions energy: -52.884
where: short stacking energy: -37.754
Base-Backbone interact. energy: -0.525
local terms energy: -52.356297
where:
bonds (distance) C4'-P energy: -13.408
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -5.221
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: 7, replica: 8
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -123.588260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.588260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.588260 (E_RNA)
where:
Base-Base interactions energy: -58.823
where: short stacking energy: -44.039
Base-Backbone interact. energy: -0.974
local terms energy: -63.790734
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -8.090
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: 8, replica: 10
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -88.485081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485081 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -26.989
Base-Backbone interact. energy: -0.695
local terms energy: -58.518437
where:
bonds (distance) C4'-P energy: -16.314
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -7.905
flat angles P-C4'-P energy: -10.715
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: 9, replica: 7
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -87.248763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.248763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.248763 (E_RNA)
where:
Base-Base interactions energy: -36.035
where: short stacking energy: -34.561
Base-Backbone interact. energy: -0.138
local terms energy: -51.075000
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -14.429
flat angles C4'-P-C4' energy: -10.812
flat angles P-C4'-P energy: -3.700
tors. eta vs tors. theta energy: -5.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -76.817807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.817807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.817807 (E_RNA)
where:
Base-Base interactions energy: -35.111
where: short stacking energy: -17.438
Base-Backbone interact. energy: -0.029
local terms energy: -41.677648
where:
bonds (distance) C4'-P energy: -12.980
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -9.377
flat angles P-C4'-P energy: -6.375
tors. eta vs tors. theta energy: 0.557
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: 6
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -255.128794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.128794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.128794 (E_RNA)
where:
Base-Base interactions energy: -182.710
where: short stacking energy: -75.942
Base-Backbone interact. energy: 0.099
local terms energy: -72.517471
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -14.492
flat angles C4'-P-C4' energy: -15.609
flat angles P-C4'-P energy: -10.285
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: 2, replica: 2
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -249.554459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.554459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.554459 (E_RNA)
where:
Base-Base interactions energy: -171.548
where: short stacking energy: -67.895
Base-Backbone interact. energy: -0.587
local terms energy: -77.418809
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -18.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -224.321824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.321824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.321824 (E_RNA)
where:
Base-Base interactions energy: -153.371
where: short stacking energy: -59.716
Base-Backbone interact. energy: -0.276
local terms energy: -70.675135
where:
bonds (distance) C4'-P energy: -11.467
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -12.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -223.841380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.841380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.841380 (E_RNA)
where:
Base-Base interactions energy: -151.352
where: short stacking energy: -64.178
Base-Backbone interact. energy: -0.105
local terms energy: -72.384794
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -9.770
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -203.421680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.421680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.421680 (E_RNA)
where:
Base-Base interactions energy: -135.492
where: short stacking energy: -70.208
Base-Backbone interact. energy: -0.009
local terms energy: -67.920029
where:
bonds (distance) C4'-P energy: -13.748
bonds (distance) P-C4' energy: -13.098
flat angles C4'-P-C4' energy: -14.233
flat angles P-C4'-P energy: -7.968
tors. eta vs tors. theta energy: -18.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -113.842003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.842003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.842003 (E_RNA)
where:
Base-Base interactions energy: -57.667
where: short stacking energy: -33.598
Base-Backbone interact. energy: 1.892
local terms energy: -58.067195
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -14.690
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -125.856969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.856969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.856969 (E_RNA)
where:
Base-Base interactions energy: -71.679
where: short stacking energy: -31.925
Base-Backbone interact. energy: -0.382
local terms energy: -53.796038
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -15.134
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -0.950
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: 10
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -94.017439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.017439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.017439 (E_RNA)
where:
Base-Base interactions energy: -35.784
where: short stacking energy: -32.504
Base-Backbone interact. energy: -0.776
local terms energy: -57.457275
where:
bonds (distance) C4'-P energy: -14.174
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -8.754
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -7.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -89.577842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.577842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.577842 (E_RNA)
where:
Base-Base interactions energy: -35.777
where: short stacking energy: -34.623
Base-Backbone interact. energy: -0.238
local terms energy: -53.562794
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -15.025
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -5.609
tors. eta vs tors. theta energy: -4.094
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: 7
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -81.336754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.336754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.336754 (E_RNA)
where:
Base-Base interactions energy: -28.079
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.002
local terms energy: -53.256557
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -11.999
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -2.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -260.792019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.792019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.792019 (E_RNA)
where:
Base-Base interactions energy: -177.324
where: short stacking energy: -80.918
Base-Backbone interact. energy: -0.323
local terms energy: -83.145479
where:
bonds (distance) C4'-P energy: -17.467
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -18.170
flat angles P-C4'-P energy: -14.361
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: 2
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -244.211687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.211687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.211687 (E_RNA)
where:
Base-Base interactions energy: -166.149
where: short stacking energy: -66.722
Base-Backbone interact. energy: -0.083
local terms energy: -77.979040
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -9.920
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: 3, replica: 9
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -228.757970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.757970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.757970 (E_RNA)
where:
Base-Base interactions energy: -153.559
where: short stacking energy: -64.557
Base-Backbone interact. energy: -0.645
local terms energy: -74.554451
where:
bonds (distance) C4'-P energy: -13.392
bonds (distance) P-C4' energy: -16.979
flat angles C4'-P-C4' energy: -16.321
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -233.598947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.598947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.598947 (E_RNA)
where:
Base-Base interactions energy: -155.231
where: short stacking energy: -68.054
Base-Backbone interact. energy: -0.122
local terms energy: -78.245555
where:
bonds (distance) C4'-P energy: -18.318
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -13.786
flat angles P-C4'-P energy: -13.128
tors. eta vs tors. theta energy: -19.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -183.674588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.674588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.674588 (E_RNA)
where:
Base-Base interactions energy: -110.874
where: short stacking energy: -49.189
Base-Backbone interact. energy: -0.074
local terms energy: -72.727157
where:
bonds (distance) C4'-P energy: -14.890
bonds (distance) P-C4' energy: -16.896
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -11.087
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: 6, replica: 3
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -105.037250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.037250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.037250 (E_RNA)
where:
Base-Base interactions energy: -41.646
where: short stacking energy: -35.600
Base-Backbone interact. energy: -0.995
local terms energy: -62.395978
where:
bonds (distance) C4'-P energy: -14.146
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.361
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -105.078243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.078243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.078243 (E_RNA)
where:
Base-Base interactions energy: -55.578
where: short stacking energy: -36.632
Base-Backbone interact. energy: -0.425
local terms energy: -49.075161
where:
bonds (distance) C4'-P energy: -8.631
bonds (distance) P-C4' energy: -13.580
flat angles C4'-P-C4' energy: -9.193
flat angles P-C4'-P energy: -10.455
tors. eta vs tors. theta energy: -7.215
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: 8, replica: 10
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -88.885110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.885110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.885110 (E_RNA)
where:
Base-Base interactions energy: -34.791
where: short stacking energy: -27.129
Base-Backbone interact. energy: -0.128
local terms energy: -53.966679
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -10.146
flat angles P-C4'-P energy: -6.431
tors. eta vs tors. theta energy: -1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -83.452390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.452390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.452390 (E_RNA)
where:
Base-Base interactions energy: -30.004
where: short stacking energy: -30.004
Base-Backbone interact. energy: -0.909
local terms energy: -52.539180
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -13.917
flat angles P-C4'-P energy: -9.096
tors. eta vs tors. theta energy: 0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -89.801718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.801718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.801718 (E_RNA)
where:
Base-Base interactions energy: -36.528
where: short stacking energy: -36.528
Base-Backbone interact. energy: -0.035
local terms energy: -53.239086
where:
bonds (distance) C4'-P energy: -9.607
bonds (distance) P-C4' energy: -8.942
flat angles C4'-P-C4' energy: -14.945
flat angles P-C4'-P energy: -11.571
tors. eta vs tors. theta energy: -8.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -253.600138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.600138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.600138 (E_RNA)
where:
Base-Base interactions energy: -177.764
where: short stacking energy: -70.382
Base-Backbone interact. energy: 1.392
local terms energy: -77.227518
where:
bonds (distance) C4'-P energy: -15.674
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -9.173
tors. eta vs tors. theta energy: -17.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -236.555394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.555394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.555394 (E_RNA)
where:
Base-Base interactions energy: -159.970
where: short stacking energy: -67.225
Base-Backbone interact. energy: -0.664
local terms energy: -75.921557
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -17.025
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -14.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -245.673636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.673636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.673636 (E_RNA)
where:
Base-Base interactions energy: -166.404
where: short stacking energy: -76.478
Base-Backbone interact. energy: 0.996
local terms energy: -80.265838
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -217.900774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.900774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.900774 (E_RNA)
where:
Base-Base interactions energy: -147.892
where: short stacking energy: -69.206
Base-Backbone interact. energy: -0.111
local terms energy: -69.897419
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -13.405
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -15.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -191.172763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.172763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.172763 (E_RNA)
where:
Base-Base interactions energy: -121.138
where: short stacking energy: -51.704
Base-Backbone interact. energy: -0.132
local terms energy: -69.902758
where:
bonds (distance) C4'-P energy: -14.389
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -5.430
tors. eta vs tors. theta energy: -17.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -112.079262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.079262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.079262 (E_RNA)
where:
Base-Base interactions energy: -53.394
where: short stacking energy: -44.914
Base-Backbone interact. energy: -0.012
local terms energy: -58.673957
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -11.388
flat angles P-C4'-P energy: -10.265
tors. eta vs tors. theta energy: -7.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -94.998255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.998255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.998255 (E_RNA)
where:
Base-Base interactions energy: -37.856
where: short stacking energy: -31.930
Base-Backbone interact. energy: -0.570
local terms energy: -56.572154
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -13.205
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -8.633
tors. eta vs tors. theta energy: -3.591
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: 8
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -104.801969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.801969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.801969 (E_RNA)
where:
Base-Base interactions energy: -36.406
where: short stacking energy: -35.031
Base-Backbone interact. energy: -0.157
local terms energy: -68.239670
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -12.075
flat angles P-C4'-P energy: -12.346
tors. eta vs tors. theta energy: -9.051
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: 7
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -95.594123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.594123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.594123 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -42.931
Base-Backbone interact. energy: -0.102
local terms energy: -52.339760
where:
bonds (distance) C4'-P energy: -8.862
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -8.924
tors. eta vs tors. theta energy: -7.258
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: 378
Temperature: 1.350000
Total energy: -92.363721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.363721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.363721 (E_RNA)
where:
Base-Base interactions energy: -40.913
where: short stacking energy: -37.014
Base-Backbone interact. energy: -0.092
local terms energy: -51.358997
where:
bonds (distance) C4'-P energy: -7.869
bonds (distance) P-C4' energy: -13.610
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -7.038
tors. eta vs tors. theta energy: -9.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -244.744040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.744040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.744040 (E_RNA)
where:
Base-Base interactions energy: -166.980
where: short stacking energy: -71.221
Base-Backbone interact. energy: -1.136
local terms energy: -76.628375
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -9.352
tors. eta vs tors. theta energy: -14.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -240.740779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.740779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.740779 (E_RNA)
where:
Base-Base interactions energy: -166.804
where: short stacking energy: -65.467
Base-Backbone interact. energy: -0.091
local terms energy: -73.845206
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -12.077
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -13.995
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: 2
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -238.364015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.364015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.364015 (E_RNA)
where:
Base-Base interactions energy: -165.193
where: short stacking energy: -67.701
Base-Backbone interact. energy: -0.031
local terms energy: -73.140073
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -13.185
flat angles C4'-P-C4' energy: -15.680
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -19.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -241.248694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.248694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.248694 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.346
local terms energy: -76.551386
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -9.042
tors. eta vs tors. theta energy: -18.866
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: 1
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -202.153660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.153660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.153660 (E_RNA)
where:
Base-Base interactions energy: -126.322
where: short stacking energy: -60.667
Base-Backbone interact. energy: -0.062
local terms energy: -75.769641
where:
bonds (distance) C4'-P energy: -13.309
bonds (distance) P-C4' energy: -16.146
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -104.104144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104144 (E_RNA)
where:
Base-Base interactions energy: -50.096
where: short stacking energy: -32.345
Base-Backbone interact. energy: -0.751
local terms energy: -53.257172
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -8.592
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -101.854174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.854174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.854174 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -33.618
Base-Backbone interact. energy: -0.019
local terms energy: -66.872066
where:
bonds (distance) C4'-P energy: -14.493
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -14.657
flat angles P-C4'-P energy: -11.615
tors. eta vs tors. theta energy: -8.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -94.337494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.337494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.337494 (E_RNA)
where:
Base-Base interactions energy: -43.906
where: short stacking energy: -32.733
Base-Backbone interact. energy: -0.109
local terms energy: -50.322999
where:
bonds (distance) C4'-P energy: -8.769
bonds (distance) P-C4' energy: -13.040
flat angles C4'-P-C4' energy: -12.251
flat angles P-C4'-P energy: -11.662
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -87.776173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.776173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.776173 (E_RNA)
where:
Base-Base interactions energy: -37.963
where: short stacking energy: -29.281
Base-Backbone interact. energy: -0.007
local terms energy: -49.806180
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -7.432
tors. eta vs tors. theta energy: -1.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -87.606672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.606672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.606672 (E_RNA)
where:
Base-Base interactions energy: -34.032
where: short stacking energy: -34.032
Base-Backbone interact. energy: -0.016
local terms energy: -53.558246
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -15.604
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: 0.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -245.214660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.214660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.214660 (E_RNA)
where:
Base-Base interactions energy: -174.760
where: short stacking energy: -65.639
Base-Backbone interact. energy: -0.299
local terms energy: -70.155785
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -15.905
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -15.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -253.281134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.281134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.281134 (E_RNA)
where:
Base-Base interactions energy: -172.510
where: short stacking energy: -76.480
Base-Backbone interact. energy: -0.240
local terms energy: -80.531845
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -13.451
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -239.705902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.705902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.705902 (E_RNA)
where:
Base-Base interactions energy: -162.650
where: short stacking energy: -62.674
Base-Backbone interact. energy: 1.456
local terms energy: -78.511579
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -222.545699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.545699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.545699 (E_RNA)
where:
Base-Base interactions energy: -148.996
where: short stacking energy: -71.062
Base-Backbone interact. energy: -0.227
local terms energy: -73.322234
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.006
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -17.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -203.616846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.616846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.616846 (E_RNA)
where:
Base-Base interactions energy: -131.327
where: short stacking energy: -53.762
Base-Backbone interact. energy: -0.049
local terms energy: -72.241242
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -106.827868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.827868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.827868 (E_RNA)
where:
Base-Base interactions energy: -42.020
where: short stacking energy: -32.619
Base-Backbone interact. energy: -0.353
local terms energy: -64.455177
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -9.114
tors. eta vs tors. theta energy: -6.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -92.641580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641580 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -38.541
Base-Backbone interact. energy: 4.118
local terms energy: -53.648535
where:
bonds (distance) C4'-P energy: -12.657
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -12.928
flat angles P-C4'-P energy: -7.379
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: 8, replica: 3
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -93.299378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.299378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.299378 (E_RNA)
where:
Base-Base interactions energy: -33.574
where: short stacking energy: -30.726
Base-Backbone interact. energy: -0.823
local terms energy: -58.902441
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -18.554
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -95.300915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.300915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.300915 (E_RNA)
where:
Base-Base interactions energy: -36.501
where: short stacking energy: -32.483
Base-Backbone interact. energy: -0.014
local terms energy: -58.786175
where:
bonds (distance) C4'-P energy: -11.080
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -8.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -87.703521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.703521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.703521 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -29.626
Base-Backbone interact. energy: -0.385
local terms energy: -52.516335
where:
bonds (distance) C4'-P energy: -12.833
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -15.751
flat angles P-C4'-P energy: -6.286
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -248.154644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.154644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.154644 (E_RNA)
where:
Base-Base interactions energy: -176.185
where: short stacking energy: -66.312
Base-Backbone interact. energy: 1.232
local terms energy: -73.202035
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -15.311
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -15.732
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: 6
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -251.266341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.266341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.266341 (E_RNA)
where:
Base-Base interactions energy: -169.241
where: short stacking energy: -70.707
Base-Backbone interact. energy: -0.108
local terms energy: -81.917641
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -9.207
tors. eta vs tors. theta energy: -16.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -233.097441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.097441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.097441 (E_RNA)
where:
Base-Base interactions energy: -159.441
where: short stacking energy: -65.218
Base-Backbone interact. energy: -1.034
local terms energy: -72.622655
where:
bonds (distance) C4'-P energy: -10.656
bonds (distance) P-C4' energy: -15.441
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -10.905
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: 2
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -231.822664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.822664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.822664 (E_RNA)
where:
Base-Base interactions energy: -154.030
where: short stacking energy: -67.240
Base-Backbone interact. energy: -0.294
local terms energy: -77.498886
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -17.618
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -197.829329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.829329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.829329 (E_RNA)
where:
Base-Base interactions energy: -137.331
where: short stacking energy: -58.847
Base-Backbone interact. energy: -0.186
local terms energy: -60.312008
where:
bonds (distance) C4'-P energy: -6.306
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -14.328
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -15.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -111.781787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781787 (E_RNA)
where:
Base-Base interactions energy: -45.873
where: short stacking energy: -41.108
Base-Backbone interact. energy: -0.006
local terms energy: -65.902791
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -7.726
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: 7, replica: 10
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -93.849340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.849340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.849340 (E_RNA)
where:
Base-Base interactions energy: -34.817
where: short stacking energy: -31.582
Base-Backbone interact. energy: -0.786
local terms energy: -58.246801
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -14.140
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -1.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -98.331975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.331975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.331975 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.834
local terms energy: -50.324451
where:
bonds (distance) C4'-P energy: -17.423
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -8.753
flat angles P-C4'-P energy: -9.484
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: 9, replica: 3
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -102.149043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.149043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.149043 (E_RNA)
where:
Base-Base interactions energy: -36.344
where: short stacking energy: -36.301
Base-Backbone interact. energy: 0.058
local terms energy: -65.863135
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -17.468
flat angles C4'-P-C4' energy: -16.864
flat angles P-C4'-P energy: -10.732
tors. eta vs tors. theta energy: -6.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -74.097763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.097763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.097763 (E_RNA)
where:
Base-Base interactions energy: -29.214
where: short stacking energy: -26.350
Base-Backbone interact. energy: 0.565
local terms energy: -45.449286
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -10.981
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -3.106
tors. eta vs tors. theta energy: 0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -254.867108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.867108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.867108 (E_RNA)
where:
Base-Base interactions energy: -174.152
where: short stacking energy: -69.229
Base-Backbone interact. energy: -0.760
local terms energy: -79.955069
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -18.228
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -17.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -240.156557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.156557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.156557 (E_RNA)
where:
Base-Base interactions energy: -156.683
where: short stacking energy: -69.751
Base-Backbone interact. energy: -0.230
local terms energy: -83.244048
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -19.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -235.843282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.843282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.843282 (E_RNA)
where:
Base-Base interactions energy: -161.261
where: short stacking energy: -61.363
Base-Backbone interact. energy: -0.343
local terms energy: -74.239439
where:
bonds (distance) C4'-P energy: -17.134
bonds (distance) P-C4' energy: -17.995
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -6.092
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -234.754571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.754571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.754571 (E_RNA)
where:
Base-Base interactions energy: -149.823
where: short stacking energy: -69.976
Base-Backbone interact. energy: -1.056
local terms energy: -83.875507
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -16.471
flat angles P-C4'-P energy: -11.346
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: 5, replica: 1
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -189.666436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.666436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.666436 (E_RNA)
where:
Base-Base interactions energy: -111.765
where: short stacking energy: -60.179
Base-Backbone interact. energy: -0.007
local terms energy: -77.894419
where:
bonds (distance) C4'-P energy: -14.658
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -9.068
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -109.319019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.319019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.319019 (E_RNA)
where:
Base-Base interactions energy: -44.687
where: short stacking energy: -34.677
Base-Backbone interact. energy: -0.104
local terms energy: -64.527451
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -13.757
flat angles C4'-P-C4' energy: -12.158
flat angles P-C4'-P energy: -12.529
tors. eta vs tors. theta energy: -11.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -101.091924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.091924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.091924 (E_RNA)
where:
Base-Base interactions energy: -37.657
where: short stacking energy: -35.620
Base-Backbone interact. energy: -0.102
local terms energy: -63.332700
where:
bonds (distance) C4'-P energy: -17.225
bonds (distance) P-C4' energy: -15.490
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -9.478
tors. eta vs tors. theta energy: -6.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -85.349312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.349312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.349312 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -31.154
Base-Backbone interact. energy: 0.626
local terms energy: -46.094075
where:
bonds (distance) C4'-P energy: -14.095
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -9.257
flat angles P-C4'-P energy: -4.984
tors. eta vs tors. theta energy: -2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -97.224509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.224509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.224509 (E_RNA)
where:
Base-Base interactions energy: -33.848
where: short stacking energy: -33.848
Base-Backbone interact. energy: -0.187
local terms energy: -63.190175
where:
bonds (distance) C4'-P energy: -16.575
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -10.403
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: 382
Temperature: 1.350000
Total energy: -96.900848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.900848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.900848 (E_RNA)
where:
Base-Base interactions energy: -40.022
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.186
local terms energy: -56.693363
where:
bonds (distance) C4'-P energy: -12.108
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -7.721
tors. eta vs tors. theta energy: -4.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -250.122458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.122458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.122458 (E_RNA)
where:
Base-Base interactions energy: -172.978
where: short stacking energy: -72.043
Base-Backbone interact. energy: -0.691
local terms energy: -76.453898
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -12.980
flat angles C4'-P-C4' energy: -16.225
flat angles P-C4'-P energy: -13.365
tors. eta vs tors. theta energy: -16.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -247.820827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.820827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.820827 (E_RNA)
where:
Base-Base interactions energy: -167.324
where: short stacking energy: -71.630
Base-Backbone interact. energy: -0.480
local terms energy: -80.017448
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -8.557
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: 3, replica: 4
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -230.848369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.848369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.848369 (E_RNA)
where:
Base-Base interactions energy: -157.269
where: short stacking energy: -64.635
Base-Backbone interact. energy: -0.275
local terms energy: -73.304015
where:
bonds (distance) C4'-P energy: -12.075
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -16.851
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -17.361
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: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -229.574696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.574696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.574696 (E_RNA)
where:
Base-Base interactions energy: -151.647
where: short stacking energy: -58.604
Base-Backbone interact. energy: -1.147
local terms energy: -76.780088
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -10.838
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -18.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -173.786302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.786302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.786302 (E_RNA)
where:
Base-Base interactions energy: -103.315
where: short stacking energy: -55.797
Base-Backbone interact. energy: -0.838
local terms energy: -69.633673
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -11.852
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -14.290
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: 6, replica: 5
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -117.263155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.263155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.263155 (E_RNA)
where:
Base-Base interactions energy: -52.204
where: short stacking energy: -49.562
Base-Backbone interact. energy: 1.812
local terms energy: -66.870726
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -16.421
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.076
tors. eta vs tors. theta energy: -4.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -94.350822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.350822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.350822 (E_RNA)
where:
Base-Base interactions energy: -42.541
where: short stacking energy: -26.440
Base-Backbone interact. energy: 1.903
local terms energy: -53.712809
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -9.962
flat angles P-C4'-P energy: -3.777
tors. eta vs tors. theta energy: -6.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -106.678765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.678765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.678765 (E_RNA)
where:
Base-Base interactions energy: -37.001
where: short stacking energy: -37.420
Base-Backbone interact. energy: 0.284
local terms energy: -69.962268
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -9.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -103.298162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.298162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.298162 (E_RNA)
where:
Base-Base interactions energy: -42.513
where: short stacking energy: -40.582
Base-Backbone interact. energy: 0.153
local terms energy: -60.937536
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -8.133
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -5.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -79.890846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.890846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.890846 (E_RNA)
where:
Base-Base interactions energy: -27.929
where: short stacking energy: -26.404
Base-Backbone interact. energy: -0.040
local terms energy: -51.922010
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -10.935
flat angles P-C4'-P energy: -9.496
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: 1, replica: 6
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -252.354588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.354588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.354588 (E_RNA)
where:
Base-Base interactions energy: -176.486
where: short stacking energy: -66.828
Base-Backbone interact. energy: -0.189
local terms energy: -75.679783
where:
bonds (distance) C4'-P energy: -16.036
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -9.683
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: 2, replica: 2
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -228.774191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.774191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.774191 (E_RNA)
where:
Base-Base interactions energy: -155.479
where: short stacking energy: -64.882
Base-Backbone interact. energy: -0.234
local terms energy: -73.061037
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -8.113
tors. eta vs tors. theta energy: -12.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -239.890288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.890288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.890288 (E_RNA)
where:
Base-Base interactions energy: -152.936
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.564
local terms energy: -86.390250
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -17.395
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -13.077
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: 4
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -234.536613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.536613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.536613 (E_RNA)
where:
Base-Base interactions energy: -159.836
where: short stacking energy: -67.459
Base-Backbone interact. energy: -0.347
local terms energy: -74.353924
where:
bonds (distance) C4'-P energy: -12.385
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -18.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -194.601417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.601417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.601417 (E_RNA)
where:
Base-Base interactions energy: -119.008
where: short stacking energy: -71.435
Base-Backbone interact. energy: -0.170
local terms energy: -75.423323
where:
bonds (distance) C4'-P energy: -16.045
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -12.989
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: 5
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -127.402957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.402957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.402957 (E_RNA)
where:
Base-Base interactions energy: -62.269
where: short stacking energy: -42.603
Base-Backbone interact. energy: -0.391
local terms energy: -64.743532
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -8.038
tors. eta vs tors. theta energy: -8.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -101.888403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.888403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.888403 (E_RNA)
where:
Base-Base interactions energy: -41.031
where: short stacking energy: -41.031
Base-Backbone interact. energy: -0.102
local terms energy: -60.754590
where:
bonds (distance) C4'-P energy: -15.057
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -13.213
flat angles P-C4'-P energy: -5.914
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: 8, replica: 8
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -97.836814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.836814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.836814 (E_RNA)
where:
Base-Base interactions energy: -39.003
where: short stacking energy: -35.752
Base-Backbone interact. energy: -0.756
local terms energy: -58.078228
where:
bonds (distance) C4'-P energy: -9.847
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -13.712
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -77.570897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.570897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.570897 (E_RNA)
where:
Base-Base interactions energy: -27.492
where: short stacking energy: -25.938
Base-Backbone interact. energy: -0.709
local terms energy: -49.370124
where:
bonds (distance) C4'-P energy: -14.129
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -9.964
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: 3.414
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: 10, replica: 3
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -85.051266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051266 (E_RNA)
where:
Base-Base interactions energy: -27.254
where: short stacking energy: -23.823
Base-Backbone interact. energy: -0.424
local terms energy: -57.373423
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -16.345
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: 0.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -255.507545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.507545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.507545 (E_RNA)
where:
Base-Base interactions energy: -177.477
where: short stacking energy: -76.115
Base-Backbone interact. energy: -0.203
local terms energy: -77.827452
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -19.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -234.548882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.548882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.548882 (E_RNA)
where:
Base-Base interactions energy: -163.261
where: short stacking energy: -70.472
Base-Backbone interact. energy: -0.168
local terms energy: -71.119785
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -6.483
tors. eta vs tors. theta energy: -14.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -230.049382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.049382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.049382 (E_RNA)
where:
Base-Base interactions energy: -157.329
where: short stacking energy: -79.316
Base-Backbone interact. energy: -0.281
local terms energy: -72.439172
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -14.276
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -9.144
tors. eta vs tors. theta energy: -18.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -221.052289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.052289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.052289 (E_RNA)
where:
Base-Base interactions energy: -151.111
where: short stacking energy: -62.477
Base-Backbone interact. energy: -0.401
local terms energy: -69.540580
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -12.869
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -8.765
tors. eta vs tors. theta energy: -14.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -192.107928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.107928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.107928 (E_RNA)
where:
Base-Base interactions energy: -121.673
where: short stacking energy: -64.020
Base-Backbone interact. energy: -0.845
local terms energy: -69.590164
where:
bonds (distance) C4'-P energy: -10.825
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.777
flat angles P-C4'-P energy: -6.187
tors. eta vs tors. theta energy: -18.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -103.621111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.621111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.621111 (E_RNA)
where:
Base-Base interactions energy: -44.698
where: short stacking energy: -44.698
Base-Backbone interact. energy: -0.183
local terms energy: -58.740696
where:
bonds (distance) C4'-P energy: -9.422
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -8.919
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: 7, replica: 5
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -93.098794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.098794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.098794 (E_RNA)
where:
Base-Base interactions energy: -40.453
where: short stacking energy: -38.849
Base-Backbone interact. energy: -0.182
local terms energy: -52.463317
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -10.604
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -5.897
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: 10
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -100.073591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.073591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.073591 (E_RNA)
where:
Base-Base interactions energy: -34.759
where: short stacking energy: -34.759
Base-Backbone interact. energy: 2.591
local terms energy: -67.906158
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.797
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -4.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -86.596029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.596029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.596029 (E_RNA)
where:
Base-Base interactions energy: -29.206
where: short stacking energy: -21.136
Base-Backbone interact. energy: -0.057
local terms energy: -57.333092
where:
bonds (distance) C4'-P energy: -14.066
bonds (distance) P-C4' energy: -10.407
flat angles C4'-P-C4' energy: -14.970
flat angles P-C4'-P energy: -14.618
tors. eta vs tors. theta energy: -3.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -78.977947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.977947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.977947 (E_RNA)
where:
Base-Base interactions energy: -40.107
where: short stacking energy: -40.048
Base-Backbone interact. energy: -0.006
local terms energy: -38.865669
where:
bonds (distance) C4'-P energy: -8.094
bonds (distance) P-C4' energy: -7.122
flat angles C4'-P-C4' energy: -10.281
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -5.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -243.469906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.469906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.469906 (E_RNA)
where:
Base-Base interactions energy: -164.862
where: short stacking energy: -71.636
Base-Backbone interact. energy: -0.400
local terms energy: -78.207753
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -18.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -250.458214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.458214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.458214 (E_RNA)
where:
Base-Base interactions energy: -174.033
where: short stacking energy: -75.843
Base-Backbone interact. energy: 0.353
local terms energy: -76.777788
where:
bonds (distance) C4'-P energy: -14.799
bonds (distance) P-C4' energy: -12.166
flat angles C4'-P-C4' energy: -17.047
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -19.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -241.945424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.945424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.945424 (E_RNA)
where:
Base-Base interactions energy: -159.609
where: short stacking energy: -64.391
Base-Backbone interact. energy: -1.278
local terms energy: -81.058177
where:
bonds (distance) C4'-P energy: -15.964
bonds (distance) P-C4' energy: -17.685
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -11.179
tors. eta vs tors. theta energy: -18.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -229.332043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.332043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.332043 (E_RNA)
where:
Base-Base interactions energy: -153.792
where: short stacking energy: -62.763
Base-Backbone interact. energy: -0.248
local terms energy: -75.292379
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -13.454
tors. eta vs tors. theta energy: -12.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -178.857148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.857148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.857148 (E_RNA)
where:
Base-Base interactions energy: -112.074
where: short stacking energy: -47.735
Base-Backbone interact. energy: 0.924
local terms energy: -67.707282
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -12.973
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -10.186
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: 7
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -101.125792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.125792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.125792 (E_RNA)
where:
Base-Base interactions energy: -47.103
where: short stacking energy: -34.331
Base-Backbone interact. energy: -0.237
local terms energy: -53.785024
where:
bonds (distance) C4'-P energy: -12.856
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -9.700
flat angles P-C4'-P energy: -8.176
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: 7, replica: 5
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -91.714650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.714650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.714650 (E_RNA)
where:
Base-Base interactions energy: -33.864
where: short stacking energy: -27.817
Base-Backbone interact. energy: -0.182
local terms energy: -57.669211
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.357
flat angles C4'-P-C4' energy: -12.365
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -5.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -104.278612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.278612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.278612 (E_RNA)
where:
Base-Base interactions energy: -47.374
where: short stacking energy: -47.374
Base-Backbone interact. energy: -0.071
local terms energy: -56.833713
where:
bonds (distance) C4'-P energy: -6.880
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -8.653
tors. eta vs tors. theta energy: -6.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -87.292432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.292432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.292432 (E_RNA)
where:
Base-Base interactions energy: -39.768
where: short stacking energy: -35.778
Base-Backbone interact. energy: 0.094
local terms energy: -47.617649
where:
bonds (distance) C4'-P energy: -7.717
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -10.497
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -84.041187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.041187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.041187 (E_RNA)
where:
Base-Base interactions energy: -32.897
where: short stacking energy: -32.872
Base-Backbone interact. energy: -0.256
local terms energy: -50.887770
where:
bonds (distance) C4'-P energy: -14.000
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -12.371
flat angles P-C4'-P energy: -10.280
tors. eta vs tors. theta energy: 0.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -244.449912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.449912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.449912 (E_RNA)
where:
Base-Base interactions energy: -159.318
where: short stacking energy: -73.208
Base-Backbone interact. energy: -0.451
local terms energy: -84.680523
where:
bonds (distance) C4'-P energy: -16.020
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -14.634
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -252.383931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.383931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.383931 (E_RNA)
where:
Base-Base interactions energy: -181.316
where: short stacking energy: -67.337
Base-Backbone interact. energy: -0.330
local terms energy: -70.737983
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -12.583
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -15.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -239.833076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.833076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.833076 (E_RNA)
where:
Base-Base interactions energy: -160.137
where: short stacking energy: -77.940
Base-Backbone interact. energy: -0.644
local terms energy: -79.052062
where:
bonds (distance) C4'-P energy: -15.718
bonds (distance) P-C4' energy: -16.827
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -8.427
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -235.478142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.478142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.478142 (E_RNA)
where:
Base-Base interactions energy: -160.155
where: short stacking energy: -75.357
Base-Backbone interact. energy: -0.320
local terms energy: -75.003315
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -208.345275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.345275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.345275 (E_RNA)
where:
Base-Base interactions energy: -144.410
where: short stacking energy: -68.988
Base-Backbone interact. energy: -1.121
local terms energy: -62.813968
where:
bonds (distance) C4'-P energy: -14.390
bonds (distance) P-C4' energy: -14.921
flat angles C4'-P-C4' energy: -13.397
flat angles P-C4'-P energy: -8.147
tors. eta vs tors. theta energy: -11.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -106.634099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.634099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.634099 (E_RNA)
where:
Base-Base interactions energy: -52.423
where: short stacking energy: -38.881
Base-Backbone interact. energy: -0.029
local terms energy: -54.182590
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -5.470
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: 7, replica: 7
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -95.133045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133045 (E_RNA)
where:
Base-Base interactions energy: -40.517
where: short stacking energy: -40.517
Base-Backbone interact. energy: -0.026
local terms energy: -54.590668
where:
bonds (distance) C4'-P energy: -11.398
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -8.890
flat angles P-C4'-P energy: -10.224
tors. eta vs tors. theta energy: -7.823
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: 3
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -94.480468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480468 (E_RNA)
where:
Base-Base interactions energy: -36.048
where: short stacking energy: -35.616
Base-Backbone interact. energy: -0.198
local terms energy: -58.234902
where:
bonds (distance) C4'-P energy: -12.062
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -5.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -86.878566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.878566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.878566 (E_RNA)
where:
Base-Base interactions energy: -32.768
where: short stacking energy: -32.768
Base-Backbone interact. energy: -0.046
local terms energy: -54.064168
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -14.301
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -0.596
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: 8
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -73.286237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.286237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.286237 (E_RNA)
where:
Base-Base interactions energy: -30.308
where: short stacking energy: -15.214
Base-Backbone interact. energy: -0.364
local terms energy: -42.614782
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -1.793
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -258.245813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.245813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.245813 (E_RNA)
where:
Base-Base interactions energy: -176.669
where: short stacking energy: -76.209
Base-Backbone interact. energy: -0.214
local terms energy: -81.362542
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -9.737
tors. eta vs tors. theta energy: -21.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -230.033631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.033631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.033631 (E_RNA)
where:
Base-Base interactions energy: -153.175
where: short stacking energy: -69.211
Base-Backbone interact. energy: -0.391
local terms energy: -76.466903
where:
bonds (distance) C4'-P energy: -13.842
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -10.961
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -236.860094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.860094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.860094 (E_RNA)
where:
Base-Base interactions energy: -150.409
where: short stacking energy: -72.714
Base-Backbone interact. energy: -1.096
local terms energy: -85.354925
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -16.150
flat angles P-C4'-P energy: -13.308
tors. eta vs tors. theta energy: -19.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -228.895663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.895663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.895663 (E_RNA)
where:
Base-Base interactions energy: -155.569
where: short stacking energy: -66.023
Base-Backbone interact. energy: 0.691
local terms energy: -74.017551
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -17.493
flat angles P-C4'-P energy: -9.449
tors. eta vs tors. theta energy: -19.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -190.098351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.098351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.098351 (E_RNA)
where:
Base-Base interactions energy: -110.702
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.037
local terms energy: -79.359330
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -10.100
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: 6, replica: 5
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -104.770899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.770899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.770899 (E_RNA)
where:
Base-Base interactions energy: -48.394
where: short stacking energy: -33.123
Base-Backbone interact. energy: -0.719
local terms energy: -55.658054
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -10.707
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -4.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -107.251658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.251658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.251658 (E_RNA)
where:
Base-Base interactions energy: -39.733
where: short stacking energy: -39.117
Base-Backbone interact. energy: -0.004
local terms energy: -67.513909
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -7.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -99.621034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.621034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.621034 (E_RNA)
where:
Base-Base interactions energy: -37.602
where: short stacking energy: -24.324
Base-Backbone interact. energy: -0.069
local terms energy: -61.949987
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -7.751
tors. eta vs tors. theta energy: -3.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -83.846076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.846076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.846076 (E_RNA)
where:
Base-Base interactions energy: -29.330
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.221
local terms energy: -54.294790
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -13.244
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -76.303745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.303745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.303745 (E_RNA)
where:
Base-Base interactions energy: -29.089
where: short stacking energy: -23.059
Base-Backbone interact. energy: -1.759
local terms energy: -45.455741
where:
bonds (distance) C4'-P energy: -11.715
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -7.872
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -0.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -260.632570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.632570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.632570 (E_RNA)
where:
Base-Base interactions energy: -188.290
where: short stacking energy: -70.300
Base-Backbone interact. energy: -0.126
local terms energy: -72.216058
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -18.717
flat angles P-C4'-P energy: -4.653
tors. eta vs tors. theta energy: -16.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -246.133485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.133485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.133485 (E_RNA)
where:
Base-Base interactions energy: -170.113
where: short stacking energy: -60.610
Base-Backbone interact. energy: -0.577
local terms energy: -75.442887
where:
bonds (distance) C4'-P energy: -14.600
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.974
tors. eta vs tors. theta energy: -17.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -232.489175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.489175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.489175 (E_RNA)
where:
Base-Base interactions energy: -151.620
where: short stacking energy: -69.344
Base-Backbone interact. energy: -0.192
local terms energy: -80.676756
where:
bonds (distance) C4'-P energy: -13.500
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -11.231
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -228.826028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.826028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.826028 (E_RNA)
where:
Base-Base interactions energy: -163.982
where: short stacking energy: -63.143
Base-Backbone interact. energy: -0.335
local terms energy: -64.508501
where:
bonds (distance) C4'-P energy: -11.127
bonds (distance) P-C4' energy: -10.450
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -10.675
tors. eta vs tors. theta energy: -15.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -174.586281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.586281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.586281 (E_RNA)
where:
Base-Base interactions energy: -104.324
where: short stacking energy: -58.497
Base-Backbone interact. energy: -0.108
local terms energy: -70.154263
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -9.320
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: 6, replica: 3
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -109.759007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.759007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.759007 (E_RNA)
where:
Base-Base interactions energy: -46.830
where: short stacking energy: -32.776
Base-Backbone interact. energy: 0.080
local terms energy: -63.009087
where:
bonds (distance) C4'-P energy: -18.676
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -7.856
flat angles P-C4'-P energy: -11.500
tors. eta vs tors. theta energy: -7.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -91.367532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.367532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.367532 (E_RNA)
where:
Base-Base interactions energy: -52.150
where: short stacking energy: -36.990
Base-Backbone interact. energy: -0.478
local terms energy: -38.738847
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -12.600
flat angles C4'-P-C4' energy: -12.629
flat angles P-C4'-P energy: 1.582
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: 10
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -101.579266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.579266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.579266 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -43.951
Base-Backbone interact. energy: -0.079
local terms energy: -57.549297
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -12.362
flat angles C4'-P-C4' energy: -10.476
flat angles P-C4'-P energy: -5.700
tors. eta vs tors. theta energy: -13.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -97.347318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.347318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.347318 (E_RNA)
where:
Base-Base interactions energy: -37.162
where: short stacking energy: -34.307
Base-Backbone interact. energy: -0.400
local terms energy: -59.784566
where:
bonds (distance) C4'-P energy: -14.341
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -6.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -93.429136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.429136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.429136 (E_RNA)
where:
Base-Base interactions energy: -33.144
where: short stacking energy: -30.474
Base-Backbone interact. energy: -0.079
local terms energy: -60.206486
where:
bonds (distance) C4'-P energy: -14.013
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -8.782
tors. eta vs tors. theta energy: -5.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -253.027684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.027684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.027684 (E_RNA)
where:
Base-Base interactions energy: -172.332
where: short stacking energy: -69.596
Base-Backbone interact. energy: -0.657
local terms energy: -80.038976
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.907
tors. eta vs tors. theta energy: -17.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -256.707304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.707304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.707304 (E_RNA)
where:
Base-Base interactions energy: -175.661
where: short stacking energy: -70.277
Base-Backbone interact. energy: -0.360
local terms energy: -80.686043
where:
bonds (distance) C4'-P energy: -14.289
bonds (distance) P-C4' energy: -18.204
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -13.058
tors. eta vs tors. theta energy: -18.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -238.501957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.501957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.501957 (E_RNA)
where:
Base-Base interactions energy: -164.727
where: short stacking energy: -67.169
Base-Backbone interact. energy: -0.598
local terms energy: -73.177209
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -13.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -238.873813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.873813 (E_RNA)
where:
Base-Base interactions energy: -164.269
where: short stacking energy: -62.119
Base-Backbone interact. energy: -0.731
local terms energy: -73.873995
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -8.896
tors. eta vs tors. theta energy: -14.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -174.047745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.047745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.047745 (E_RNA)
where:
Base-Base interactions energy: -117.508
where: short stacking energy: -42.332
Base-Backbone interact. energy: 2.818
local terms energy: -59.358405
where:
bonds (distance) C4'-P energy: -9.851
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -14.138
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -8.847
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: 6, replica: 3
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -116.511184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.511184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.511184 (E_RNA)
where:
Base-Base interactions energy: -46.808
where: short stacking energy: -46.808
Base-Backbone interact. energy: 0.726
local terms energy: -70.429427
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -7.582
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: 7, replica: 10
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -94.417575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.417575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.417575 (E_RNA)
where:
Base-Base interactions energy: -41.545
where: short stacking energy: -33.300
Base-Backbone interact. energy: -0.221
local terms energy: -52.650823
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -15.648
flat angles C4'-P-C4' energy: -11.207
flat angles P-C4'-P energy: -6.279
tors. eta vs tors. theta energy: -2.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -89.383559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.383559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.383559 (E_RNA)
where:
Base-Base interactions energy: -39.957
where: short stacking energy: -30.856
Base-Backbone interact. energy: -0.144
local terms energy: -49.283112
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -16.789
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -1.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -88.310441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.310441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.310441 (E_RNA)
where:
Base-Base interactions energy: -33.769
where: short stacking energy: -33.769
Base-Backbone interact. energy: -0.666
local terms energy: -53.875607
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.561
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -95.392979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.392979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.392979 (E_RNA)
where:
Base-Base interactions energy: -48.648
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.903
local terms energy: -45.842297
where:
bonds (distance) C4'-P energy: -11.367
bonds (distance) P-C4' energy: -10.345
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -8.229
tors. eta vs tors. theta energy: -0.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -257.176975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.176975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.176975 (E_RNA)
where:
Base-Base interactions energy: -173.447
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.126
local terms energy: -83.603846
where:
bonds (distance) C4'-P energy: -14.183
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -10.374
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: 2, replica: 6
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -250.669316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.669316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.669316 (E_RNA)
where:
Base-Base interactions energy: -173.535
where: short stacking energy: -78.959
Base-Backbone interact. energy: -0.123
local terms energy: -77.010599
where:
bonds (distance) C4'-P energy: -17.146
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.650
tors. eta vs tors. theta energy: -16.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -223.940810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.940810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.940810 (E_RNA)
where:
Base-Base interactions energy: -156.707
where: short stacking energy: -58.413
Base-Backbone interact. energy: -0.275
local terms energy: -66.957926
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: -13.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -241.861271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.861271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.861271 (E_RNA)
where:
Base-Base interactions energy: -174.733
where: short stacking energy: -71.359
Base-Backbone interact. energy: -0.077
local terms energy: -67.050798
where:
bonds (distance) C4'-P energy: -13.147
bonds (distance) P-C4' energy: -12.665
flat angles C4'-P-C4' energy: -16.376
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -14.443
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: 1
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -175.266999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.266999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.266999 (E_RNA)
where:
Base-Base interactions energy: -114.813
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.462
local terms energy: -59.992144
where:
bonds (distance) C4'-P energy: -12.348
bonds (distance) P-C4' energy: -8.931
flat angles C4'-P-C4' energy: -14.666
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -105.064686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.064686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.064686 (E_RNA)
where:
Base-Base interactions energy: -38.126
where: short stacking energy: -38.126
Base-Backbone interact. energy: -0.125
local terms energy: -66.814259
where:
bonds (distance) C4'-P energy: -16.585
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -13.021
flat angles P-C4'-P energy: -11.235
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: 7, replica: 3
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -99.383349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.383349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.383349 (E_RNA)
where:
Base-Base interactions energy: -40.335
where: short stacking energy: -40.335
Base-Backbone interact. energy: -0.123
local terms energy: -58.924916
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -11.260
flat angles C4'-P-C4' energy: -10.501
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -11.990
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: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -93.854879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.854879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.854879 (E_RNA)
where:
Base-Base interactions energy: -33.880
where: short stacking energy: -33.880
Base-Backbone interact. energy: -0.147
local terms energy: -59.827680
where:
bonds (distance) C4'-P energy: -16.969
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -9.804
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: 9, replica: 5
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -105.119094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.119094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.119094 (E_RNA)
where:
Base-Base interactions energy: -44.429
where: short stacking energy: -42.343
Base-Backbone interact. energy: -0.185
local terms energy: -60.505095
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -13.321
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -4.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -99.540772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.540772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.540772 (E_RNA)
where:
Base-Base interactions energy: -38.620
where: short stacking energy: -27.202
Base-Backbone interact. energy: 0.126
local terms energy: -61.047322
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -6.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -247.039457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.039457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.039457 (E_RNA)
where:
Base-Base interactions energy: -161.260
where: short stacking energy: -76.640
Base-Backbone interact. energy: -0.984
local terms energy: -84.796246
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -21.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -251.394981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.394981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.394981 (E_RNA)
where:
Base-Base interactions energy: -173.710
where: short stacking energy: -71.730
Base-Backbone interact. energy: -0.050
local terms energy: -77.634961
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -13.996
flat angles P-C4'-P energy: -14.572
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: 3, replica: 9
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -232.052033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.052033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.052033 (E_RNA)
where:
Base-Base interactions energy: -150.867
where: short stacking energy: -58.814
Base-Backbone interact. energy: -0.617
local terms energy: -80.567894
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -15.749
flat angles C4'-P-C4' energy: -14.254
flat angles P-C4'-P energy: -13.433
tors. eta vs tors. theta energy: -18.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -232.313923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.313923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.313923 (E_RNA)
where:
Base-Base interactions energy: -161.664
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.316
local terms energy: -70.333890
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -16.567
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: 5, replica: 1
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -163.242241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.242241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.242241 (E_RNA)
where:
Base-Base interactions energy: -93.816
where: short stacking energy: -53.614
Base-Backbone interact. energy: -0.061
local terms energy: -69.365898
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.191
flat angles P-C4'-P energy: -8.489
tors. eta vs tors. theta energy: -13.384
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: 10
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -122.864202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.864202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.864202 (E_RNA)
where:
Base-Base interactions energy: -56.177
where: short stacking energy: -56.177
Base-Backbone interact. energy: -0.049
local terms energy: -66.637783
where:
bonds (distance) C4'-P energy: -12.521
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -6.947
tors. eta vs tors. theta energy: -13.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -100.995481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.995481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.995481 (E_RNA)
where:
Base-Base interactions energy: -38.712
where: short stacking energy: -38.712
Base-Backbone interact. energy: -0.772
local terms energy: -61.511471
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -12.961
flat angles C4'-P-C4' energy: -18.149
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -10.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -99.259872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.259872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.259872 (E_RNA)
where:
Base-Base interactions energy: -40.856
where: short stacking energy: -34.128
Base-Backbone interact. energy: -0.089
local terms energy: -58.314993
where:
bonds (distance) C4'-P energy: -16.546
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -11.200
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -5.775
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: 5
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -91.257663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.257663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.257663 (E_RNA)
where:
Base-Base interactions energy: -40.042
where: short stacking energy: -33.927
Base-Backbone interact. energy: -0.055
local terms energy: -51.160858
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -15.195
flat angles C4'-P-C4' energy: -4.988
flat angles P-C4'-P energy: -6.491
tors. eta vs tors. theta energy: -10.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.347616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.347616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.347616 (E_RNA)
where:
Base-Base interactions energy: -21.276
where: short stacking energy: -17.904
Base-Backbone interact. energy: -0.757
local terms energy: -57.314939
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -248.446967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.446967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.446967 (E_RNA)
where:
Base-Base interactions energy: -161.991
where: short stacking energy: -74.139
Base-Backbone interact. energy: -0.958
local terms energy: -85.498706
where:
bonds (distance) C4'-P energy: -17.305
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -22.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -254.185098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.185098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.185098 (E_RNA)
where:
Base-Base interactions energy: -175.023
where: short stacking energy: -76.508
Base-Backbone interact. energy: 0.180
local terms energy: -79.342406
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -16.945
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -9.180
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -234.318616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.318616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.318616 (E_RNA)
where:
Base-Base interactions energy: -156.405
where: short stacking energy: -73.612
Base-Backbone interact. energy: -0.798
local terms energy: -77.115491
where:
bonds (distance) C4'-P energy: -15.724
bonds (distance) P-C4' energy: -10.870
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -20.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -223.487734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.487734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.487734 (E_RNA)
where:
Base-Base interactions energy: -146.322
where: short stacking energy: -58.310
Base-Backbone interact. energy: -1.013
local terms energy: -76.153386
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -16.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -173.894548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.894548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.894548 (E_RNA)
where:
Base-Base interactions energy: -109.926
where: short stacking energy: -49.624
Base-Backbone interact. energy: -0.208
local terms energy: -63.760180
where:
bonds (distance) C4'-P energy: -11.832
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -13.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -110.745364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.745364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.745364 (E_RNA)
where:
Base-Base interactions energy: -43.319
where: short stacking energy: -43.319
Base-Backbone interact. energy: -0.048
local terms energy: -67.379077
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -15.610
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -11.399
tors. eta vs tors. theta energy: -9.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -102.956958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.956958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.956958 (E_RNA)
where:
Base-Base interactions energy: -38.926
where: short stacking energy: -35.251
Base-Backbone interact. energy: -0.238
local terms energy: -63.792765
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -17.011
flat angles C4'-P-C4' energy: -12.712
flat angles P-C4'-P energy: -9.412
tors. eta vs tors. theta energy: -8.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -99.067058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.067058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.067058 (E_RNA)
where:
Base-Base interactions energy: -44.045
where: short stacking energy: -37.261
Base-Backbone interact. energy: -2.188
local terms energy: -52.833758
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -9.879
flat angles P-C4'-P energy: -5.847
tors. eta vs tors. theta energy: -3.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -86.438992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.438992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.438992 (E_RNA)
where:
Base-Base interactions energy: -26.163
where: short stacking energy: -25.322
Base-Backbone interact. energy: -0.600
local terms energy: -59.676380
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -8.207
tors. eta vs tors. theta energy: -4.705
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: 8
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -77.045474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.045474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.045474 (E_RNA)
where:
Base-Base interactions energy: -29.735
where: short stacking energy: -21.058
Base-Backbone interact. energy: -0.041
local terms energy: -47.269451
where:
bonds (distance) C4'-P energy: -15.798
bonds (distance) P-C4' energy: -14.171
flat angles C4'-P-C4' energy: -12.074
flat angles P-C4'-P energy: -5.959
tors. eta vs tors. theta energy: 0.732
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: 6
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -256.730284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.730284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.730284 (E_RNA)
where:
Base-Base interactions energy: -170.209
where: short stacking energy: -80.672
Base-Backbone interact. energy: -0.712
local terms energy: -85.808667
where:
bonds (distance) C4'-P energy: -17.276
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.314
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: 2
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -257.633999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.633999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.633999 (E_RNA)
where:
Base-Base interactions energy: -176.305
where: short stacking energy: -74.952
Base-Backbone interact. energy: -0.023
local terms energy: -81.305386
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -11.378
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: 3, replica: 4
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -237.769730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.769730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.769730 (E_RNA)
where:
Base-Base interactions energy: -155.645
where: short stacking energy: -67.745
Base-Backbone interact. energy: -0.381
local terms energy: -81.744075
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -10.813
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: 9
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -225.722203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.722203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.722203 (E_RNA)
where:
Base-Base interactions energy: -159.333
where: short stacking energy: -61.039
Base-Backbone interact. energy: -0.651
local terms energy: -65.738430
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -13.680
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -9.814
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: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -196.041417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.041417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.041417 (E_RNA)
where:
Base-Base interactions energy: -123.941
where: short stacking energy: -69.884
Base-Backbone interact. energy: -0.002
local terms energy: -72.098102
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -6.564
tors. eta vs tors. theta energy: -17.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -97.912603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.912603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.912603 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -34.198
Base-Backbone interact. energy: -0.208
local terms energy: -63.506263
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -12.084
flat angles P-C4'-P energy: -11.717
tors. eta vs tors. theta energy: -5.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -92.066160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.066160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.066160 (E_RNA)
where:
Base-Base interactions energy: -38.943
where: short stacking energy: -34.970
Base-Backbone interact. energy: 1.774
local terms energy: -54.896337
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -11.038
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -1.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -90.588629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.588629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.588629 (E_RNA)
where:
Base-Base interactions energy: -28.001
where: short stacking energy: -27.838
Base-Backbone interact. energy: 0.201
local terms energy: -62.788329
where:
bonds (distance) C4'-P energy: -18.098
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -2.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.847425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.847425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.847425 (E_RNA)
where:
Base-Base interactions energy: -31.641
where: short stacking energy: -27.101
Base-Backbone interact. energy: -0.132
local terms energy: -58.073872
where:
bonds (distance) C4'-P energy: -13.492
bonds (distance) P-C4' energy: -16.277
flat angles C4'-P-C4' energy: -13.994
flat angles P-C4'-P energy: -10.707
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: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -80.635039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.635039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.635039 (E_RNA)
where:
Base-Base interactions energy: -33.970
where: short stacking energy: -30.514
Base-Backbone interact. energy: -0.293
local terms energy: -46.372736
where:
bonds (distance) C4'-P energy: -12.828
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -244.737480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.737480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.737480 (E_RNA)
where:
Base-Base interactions energy: -159.868
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.965
local terms energy: -83.904676
where:
bonds (distance) C4'-P energy: -12.506
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -16.143
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: 2, replica: 2
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -246.780735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.780735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.780735 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.130
local terms energy: -68.843890
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -12.914
flat angles C4'-P-C4' energy: -17.333
flat angles P-C4'-P energy: -9.106
tors. eta vs tors. theta energy: -17.493
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: 4
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -241.354419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.354419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.354419 (E_RNA)
where:
Base-Base interactions energy: -161.988
where: short stacking energy: -68.734
Base-Backbone interact. energy: -0.310
local terms energy: -79.056879
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -13.753
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -17.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -202.426519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.426519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.426519 (E_RNA)
where:
Base-Base interactions energy: -119.186
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.074
local terms energy: -83.166166
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.830
tors. eta vs tors. theta energy: -18.904
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: 9
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -212.869675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.869675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.869675 (E_RNA)
where:
Base-Base interactions energy: -153.014
where: short stacking energy: -63.768
Base-Backbone interact. energy: -0.356
local terms energy: -59.499034
where:
bonds (distance) C4'-P energy: -9.707
bonds (distance) P-C4' energy: -12.989
flat angles C4'-P-C4' energy: -15.718
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -14.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -99.273474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.273474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.273474 (E_RNA)
where:
Base-Base interactions energy: -34.289
where: short stacking energy: -31.682
Base-Backbone interact. energy: -0.185
local terms energy: -64.799844
where:
bonds (distance) C4'-P energy: -19.937
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -18.328
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: -4.092
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: 10
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -96.212198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.212198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.212198 (E_RNA)
where:
Base-Base interactions energy: -35.600
where: short stacking energy: -34.576
Base-Backbone interact. energy: 0.822
local terms energy: -61.433956
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -4.714
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: 8
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -90.388819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.388819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.388819 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -30.649
Base-Backbone interact. energy: 2.376
local terms energy: -60.668997
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -8.105
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -85.678793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.678793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.678793 (E_RNA)
where:
Base-Base interactions energy: -38.059
where: short stacking energy: -38.059
Base-Backbone interact. energy: -0.179
local terms energy: -47.441228
where:
bonds (distance) C4'-P energy: -7.825
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -90.626429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626429 (E_RNA)
where:
Base-Base interactions energy: -26.197
where: short stacking energy: -26.197
Base-Backbone interact. energy: -0.462
local terms energy: -63.967154
where:
bonds (distance) C4'-P energy: -14.583
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -5.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -255.760571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.760571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.760571 (E_RNA)
where:
Base-Base interactions energy: -176.007
where: short stacking energy: -69.514
Base-Backbone interact. energy: -0.218
local terms energy: -79.535635
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -17.052
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: 2, replica: 6
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -238.474327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.474327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.474327 (E_RNA)
where:
Base-Base interactions energy: -160.320
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.288
local terms energy: -77.866386
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -13.017
flat angles P-C4'-P energy: -12.913
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: 3, replica: 4
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -247.381141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.381141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.381141 (E_RNA)
where:
Base-Base interactions energy: -178.141
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.250
local terms energy: -68.990597
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -15.594
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: -14.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -189.925999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.925999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.925999 (E_RNA)
where:
Base-Base interactions energy: -118.271
where: short stacking energy: -66.390
Base-Backbone interact. energy: -0.005
local terms energy: -71.649910
where:
bonds (distance) C4'-P energy: -10.648
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -12.847
flat angles P-C4'-P energy: -7.874
tors. eta vs tors. theta energy: -21.841
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: 9
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -212.537379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.537379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.537379 (E_RNA)
where:
Base-Base interactions energy: -138.477
where: short stacking energy: -59.915
Base-Backbone interact. energy: -0.710
local terms energy: -73.349933
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -13.189
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -15.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -114.001865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.001865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.001865 (E_RNA)
where:
Base-Base interactions energy: -48.693
where: short stacking energy: -42.206
Base-Backbone interact. energy: -0.285
local terms energy: -65.023547
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -15.044
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -8.458
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: 396
Temperature: 1.200000
Total energy: -180.631642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.631642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.631642 (E_RNA)
where:
Base-Base interactions energy: -103.501
where: short stacking energy: -57.009
Base-Backbone interact. energy: -0.010
local terms energy: -77.120779
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -15.158
flat angles P-C4'-P energy: -11.176
tors. eta vs tors. theta energy: -20.945
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: 10
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -88.261548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.261548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.261548 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -32.476
Base-Backbone interact. energy: -0.358
local terms energy: -55.427814
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -8.323
tors. eta vs tors. theta energy: 0.878
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: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -100.500582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.500582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.500582 (E_RNA)
where:
Base-Base interactions energy: -45.055
where: short stacking energy: -45.149
Base-Backbone interact. energy: -0.078
local terms energy: -55.368254
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -5.182
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -81.547283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.547283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.547283 (E_RNA)
where:
Base-Base interactions energy: -34.459
where: short stacking energy: -18.290
Base-Backbone interact. energy: -0.166
local terms energy: -46.922234
where:
bonds (distance) C4'-P energy: -9.914
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -5.054
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: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -260.839454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.839454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.839454 (E_RNA)
where:
Base-Base interactions energy: -182.655
where: short stacking energy: -73.348
Base-Backbone interact. energy: -0.027
local terms energy: -78.157226
where:
bonds (distance) C4'-P energy: -13.321
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -18.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -240.286878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.286878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.286878 (E_RNA)
where:
Base-Base interactions energy: -160.561
where: short stacking energy: -71.450
Base-Backbone interact. energy: -0.689
local terms energy: -79.037535
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -6.676
tors. eta vs tors. theta energy: -22.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -252.086468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.086468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.086468 (E_RNA)
where:
Base-Base interactions energy: -175.862
where: short stacking energy: -72.104
Base-Backbone interact. energy: -0.164
local terms energy: -76.060675
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -13.802
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: 4, replica: 9
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -224.977460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.977460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.977460 (E_RNA)
where:
Base-Base interactions energy: -154.953
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.805
local terms energy: -69.218952
where:
bonds (distance) C4'-P energy: -13.405
bonds (distance) P-C4' energy: -12.398
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -10.845
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: 5, replica: 1
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -190.556133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.556133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.556133 (E_RNA)
where:
Base-Base interactions energy: -124.581
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.156
local terms energy: -65.819293
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.586
flat angles P-C4'-P energy: -6.847
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -193.684618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.684618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.684618 (E_RNA)
where:
Base-Base interactions energy: -111.989
where: short stacking energy: -58.614
Base-Backbone interact. energy: -0.045
local terms energy: -81.650475
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -15.039
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -11.698
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -97.469335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.469335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.469335 (E_RNA)
where:
Base-Base interactions energy: -52.452
where: short stacking energy: -32.334
Base-Backbone interact. energy: -0.291
local terms energy: -44.726353
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -14.525
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: 0.135
tors. eta vs tors. theta energy: -1.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -94.952972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.952972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.952972 (E_RNA)
where:
Base-Base interactions energy: -34.180
where: short stacking energy: -32.365
Base-Backbone interact. energy: 0.308
local terms energy: -61.081610
where:
bonds (distance) C4'-P energy: -17.287
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -14.960
flat angles P-C4'-P energy: -9.376
tors. eta vs tors. theta energy: -4.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -82.066262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.066262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.066262 (E_RNA)
where:
Base-Base interactions energy: -29.756
where: short stacking energy: -26.152
Base-Backbone interact. energy: 0.015
local terms energy: -52.324681
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -15.706
flat angles C4'-P-C4' energy: -11.982
flat angles P-C4'-P energy: -10.216
tors. eta vs tors. theta energy: 1.610
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: 10, replica: 5
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -74.047296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.047296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.047296 (E_RNA)
where:
Base-Base interactions energy: -26.401
where: short stacking energy: -24.474
Base-Backbone interact. energy: -0.167
local terms energy: -47.478969
where:
bonds (distance) C4'-P energy: -13.123
bonds (distance) P-C4' energy: -10.389
flat angles C4'-P-C4' energy: -11.668
flat angles P-C4'-P energy: -12.040
tors. eta vs tors. theta energy: -0.259
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: 2
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -263.648775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.648775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.648775 (E_RNA)
where:
Base-Base interactions energy: -187.050
where: short stacking energy: -73.750
Base-Backbone interact. energy: -1.218
local terms energy: -75.381141
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -10.410
tors. eta vs tors. theta energy: -14.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -244.584043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.584043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.584043 (E_RNA)
where:
Base-Base interactions energy: -160.568
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.430
local terms energy: -83.586052
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -20.242
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: 4
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -242.869879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.869879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.869879 (E_RNA)
where:
Base-Base interactions energy: -165.442
where: short stacking energy: -70.430
Base-Backbone interact. energy: -0.281
local terms energy: -77.146442
where:
bonds (distance) C4'-P energy: -12.035
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -18.602
flat angles P-C4'-P energy: -14.713
tors. eta vs tors. theta energy: -19.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -234.040961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.040961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.040961 (E_RNA)
where:
Base-Base interactions energy: -157.419
where: short stacking energy: -73.304
Base-Backbone interact. energy: -0.276
local terms energy: -76.345572
where:
bonds (distance) C4'-P energy: -19.519
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -11.134
flat angles P-C4'-P energy: -8.919
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -185.000744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.000744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.000744 (E_RNA)
where:
Base-Base interactions energy: -117.361
where: short stacking energy: -56.913
Base-Backbone interact. energy: -0.103
local terms energy: -67.536844
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -12.344
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -12.146
tors. eta vs tors. theta energy: -11.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -187.202157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.202157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.202157 (E_RNA)
where:
Base-Base interactions energy: -114.875
where: short stacking energy: -57.823
Base-Backbone interact. energy: -0.382
local terms energy: -71.944400
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -12.411
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -14.155
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: 7, replica: 10
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -103.372396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.372396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.372396 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.052
local terms energy: -62.329455
where:
bonds (distance) C4'-P energy: -11.942
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -16.725
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -98.590298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.590298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.590298 (E_RNA)
where:
Base-Base interactions energy: -41.393
where: short stacking energy: -38.458
Base-Backbone interact. energy: -0.394
local terms energy: -56.803607
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -11.845
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -6.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -89.713647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.713647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.713647 (E_RNA)
where:
Base-Base interactions energy: -33.138
where: short stacking energy: -17.749
Base-Backbone interact. energy: -0.094
local terms energy: -56.481707
where:
bonds (distance) C4'-P energy: -16.707
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -14.640
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: 3.693
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: 10, replica: 7
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -87.732862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.732862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.732862 (E_RNA)
where:
Base-Base interactions energy: -31.130
where: short stacking energy: -29.305
Base-Backbone interact. energy: -0.620
local terms energy: -55.983246
where:
bonds (distance) C4'-P energy: -12.681
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -2.879
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: 2
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -256.592140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.592140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.592140 (E_RNA)
where:
Base-Base interactions energy: -171.753
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.509
local terms energy: -84.329772
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -16.091
flat angles P-C4'-P energy: -14.290
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -250.699958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.699958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.699958 (E_RNA)
where:
Base-Base interactions energy: -172.247
where: short stacking energy: -71.272
Base-Backbone interact. energy: 0.008
local terms energy: -78.460585
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -17.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -237.408461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.408461 (E_RNA)
where:
Base-Base interactions energy: -160.430
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.454
local terms energy: -76.524371
where:
bonds (distance) C4'-P energy: -15.638
bonds (distance) P-C4' energy: -14.690
flat angles C4'-P-C4' energy: -19.443
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -215.803337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.803337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.803337 (E_RNA)
where:
Base-Base interactions energy: -150.637
where: short stacking energy: -63.504
Base-Backbone interact. energy: -0.271
local terms energy: -64.895204
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -12.331
flat angles C4'-P-C4' energy: -13.606
flat angles P-C4'-P energy: -10.856
tors. eta vs tors. theta energy: -16.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -176.814157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.814157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.814157 (E_RNA)
where:
Base-Base interactions energy: -106.708
where: short stacking energy: -57.984
Base-Backbone interact. energy: -0.013
local terms energy: -70.092691
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -12.688
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -111.723611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.723611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.723611 (E_RNA)
where:
Base-Base interactions energy: -45.190
where: short stacking energy: -45.190
Base-Backbone interact. energy: -0.014
local terms energy: -66.519570
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -9.655
tors. eta vs tors. theta energy: -12.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -150.318863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.318863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.318863 (E_RNA)
where:
Base-Base interactions energy: -98.447
where: short stacking energy: -46.392
Base-Backbone interact. energy: -0.773
local terms energy: -51.099003
where:
bonds (distance) C4'-P energy: -13.246
bonds (distance) P-C4' energy: -15.911
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -7.287
tors. eta vs tors. theta energy: -2.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -87.760792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.760792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.760792 (E_RNA)
where:
Base-Base interactions energy: -32.917
where: short stacking energy: -23.410
Base-Backbone interact. energy: -0.209
local terms energy: -54.634979
where:
bonds (distance) C4'-P energy: -17.030
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -12.378
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: 4.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -93.122062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.122062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.122062 (E_RNA)
where:
Base-Base interactions energy: -35.070
where: short stacking energy: -35.070
Base-Backbone interact. energy: 1.917
local terms energy: -59.969556
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -11.092
flat angles P-C4'-P energy: -9.706
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: 10, replica: 7
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -93.100925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.100925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.100925 (E_RNA)
where:
Base-Base interactions energy: -43.708
where: short stacking energy: -30.769
Base-Backbone interact. energy: -0.251
local terms energy: -49.142181
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -10.789
flat angles P-C4'-P energy: -4.820
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -253.782080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.782080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.782080 (E_RNA)
where:
Base-Base interactions energy: -177.018
where: short stacking energy: -67.321
Base-Backbone interact. energy: -0.373
local terms energy: -76.390786
where:
bonds (distance) C4'-P energy: -15.259
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -17.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -241.644003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.644003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.644003 (E_RNA)
where:
Base-Base interactions energy: -168.016
where: short stacking energy: -65.174
Base-Backbone interact. energy: 1.285
local terms energy: -74.912930
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.381
tors. eta vs tors. theta energy: -17.796
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: 9
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -230.653761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.653761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.653761 (E_RNA)
where:
Base-Base interactions energy: -155.395
where: short stacking energy: -69.237
Base-Backbone interact. energy: -0.764
local terms energy: -74.495410
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -15.467
flat angles P-C4'-P energy: -9.795
tors. eta vs tors. theta energy: -18.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -234.391606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.391606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.391606 (E_RNA)
where:
Base-Base interactions energy: -155.370
where: short stacking energy: -76.050
Base-Backbone interact. energy: -1.376
local terms energy: -77.645102
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -14.723
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -9.513
tors. eta vs tors. theta energy: -20.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -158.176297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.176297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.176297 (E_RNA)
where:
Base-Base interactions energy: -86.462
where: short stacking energy: -55.592
Base-Backbone interact. energy: -0.055
local terms energy: -71.659647
where:
bonds (distance) C4'-P energy: -17.139
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -14.199
flat angles P-C4'-P energy: -6.792
tors. eta vs tors. theta energy: -14.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -95.258153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.258153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.258153 (E_RNA)
where:
Base-Base interactions energy: -35.338
where: short stacking energy: -28.807
Base-Backbone interact. energy: 0.277
local terms energy: -60.197629
where:
bonds (distance) C4'-P energy: -11.376
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -12.959
tors. eta vs tors. theta energy: -1.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -108.814565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.814565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.814565 (E_RNA)
where:
Base-Base interactions energy: -52.731
where: short stacking energy: -36.936
Base-Backbone interact. energy: -0.338
local terms energy: -55.745038
where:
bonds (distance) C4'-P energy: -10.987
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -16.143
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -2.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -155.175111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.175111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.175111 (E_RNA)
where:
Base-Base interactions energy: -99.018
where: short stacking energy: -41.555
Base-Backbone interact. energy: -0.263
local terms energy: -55.894148
where:
bonds (distance) C4'-P energy: -13.347
bonds (distance) P-C4' energy: -11.659
flat angles C4'-P-C4' energy: -15.181
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -4.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -80.400265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.400265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.400265 (E_RNA)
where:
Base-Base interactions energy: -28.701
where: short stacking energy: -27.042
Base-Backbone interact. energy: -0.095
local terms energy: -51.605090
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: 0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -92.270808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.270808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.270808 (E_RNA)
where:
Base-Base interactions energy: -40.645
where: short stacking energy: -38.031
Base-Backbone interact. energy: 0.091
local terms energy: -51.716714
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -12.826
flat angles P-C4'-P energy: -3.700
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: 1, replica: 4
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -249.478320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.478320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.478320 (E_RNA)
where:
Base-Base interactions energy: -173.443
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.088
local terms energy: -75.947810
where:
bonds (distance) C4'-P energy: -13.930
bonds (distance) P-C4' energy: -18.000
flat angles C4'-P-C4' energy: -15.736
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -18.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -243.256827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.256827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.256827 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -63.336
Base-Backbone interact. energy: -1.087
local terms energy: -73.147867
where:
bonds (distance) C4'-P energy: -15.983
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -17.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -248.434983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.434983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.434983 (E_RNA)
where:
Base-Base interactions energy: -172.247
where: short stacking energy: -74.019
Base-Backbone interact. energy: -0.300
local terms energy: -75.888023
where:
bonds (distance) C4'-P energy: -16.704
bonds (distance) P-C4' energy: -11.955
flat angles C4'-P-C4' energy: -17.067
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -16.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -226.956807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.956807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.956807 (E_RNA)
where:
Base-Base interactions energy: -151.538
where: short stacking energy: -71.007
Base-Backbone interact. energy: -0.134
local terms energy: -75.284747
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -157.669271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.669271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.669271 (E_RNA)
where:
Base-Base interactions energy: -88.268
where: short stacking energy: -43.083
Base-Backbone interact. energy: -0.056
local terms energy: -69.345473
where:
bonds (distance) C4'-P energy: -17.528
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -9.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -103.634233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.634233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.634233 (E_RNA)
where:
Base-Base interactions energy: -42.338
where: short stacking energy: -40.438
Base-Backbone interact. energy: -0.577
local terms energy: -60.719604
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -9.963
tors. eta vs tors. theta energy: -5.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -115.655705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.655705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.655705 (E_RNA)
where:
Base-Base interactions energy: -64.711
where: short stacking energy: -46.904
Base-Backbone interact. energy: -0.434
local terms energy: -50.510715
where:
bonds (distance) C4'-P energy: -12.319
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -1.992
tors. eta vs tors. theta energy: -5.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -175.652077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.652077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.652077 (E_RNA)
where:
Base-Base interactions energy: -116.578
where: short stacking energy: -48.548
Base-Backbone interact. energy: -0.208
local terms energy: -58.865829
where:
bonds (distance) C4'-P energy: -16.161
bonds (distance) P-C4' energy: -14.222
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -4.316
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: 3
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -85.784977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.784977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.784977 (E_RNA)
where:
Base-Base interactions energy: -30.205
where: short stacking energy: -28.816
Base-Backbone interact. energy: -0.017
local terms energy: -55.562854
where:
bonds (distance) C4'-P energy: -12.766
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -3.025
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: 7
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -79.961370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.961370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.961370 (E_RNA)
where:
Base-Base interactions energy: -30.548
where: short stacking energy: -28.295
Base-Backbone interact. energy: -0.797
local terms energy: -48.616269
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.539
flat angles P-C4'-P energy: -6.671
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -253.540486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.540486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.540486 (E_RNA)
where:
Base-Base interactions energy: -173.749
where: short stacking energy: -76.857
Base-Backbone interact. energy: -1.411
local terms energy: -78.380225
where:
bonds (distance) C4'-P energy: -16.422
bonds (distance) P-C4' energy: -15.323
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: -21.623
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: 2, replica: 4
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -248.179140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.179140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.179140 (E_RNA)
where:
Base-Base interactions energy: -175.397
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.159
local terms energy: -72.623388
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.391
flat angles C4'-P-C4' energy: -13.262
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -17.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -243.700964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.700964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.700964 (E_RNA)
where:
Base-Base interactions energy: -168.072
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.588
local terms energy: -75.041350
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -15.671
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -17.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -247.324751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.324751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.324751 (E_RNA)
where:
Base-Base interactions energy: -170.378
where: short stacking energy: -69.786
Base-Backbone interact. energy: -0.412
local terms energy: -76.535441
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -14.396
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -18.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -138.400029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.400029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.400029 (E_RNA)
where:
Base-Base interactions energy: -74.473
where: short stacking energy: -44.252
Base-Backbone interact. energy: -0.140
local terms energy: -63.786917
where:
bonds (distance) C4'-P energy: -14.414
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -7.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -185.114200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.114200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.114200 (E_RNA)
where:
Base-Base interactions energy: -114.384
where: short stacking energy: -56.990
Base-Backbone interact. energy: -0.160
local terms energy: -70.570013
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -8.019
tors. eta vs tors. theta energy: -15.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -173.512298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.512298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.512298 (E_RNA)
where:
Base-Base interactions energy: -115.239
where: short stacking energy: -48.463
Base-Backbone interact. energy: -0.080
local terms energy: -58.192827
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -13.350
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -7.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -103.841193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.841193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.841193 (E_RNA)
where:
Base-Base interactions energy: -47.899
where: short stacking energy: -34.788
Base-Backbone interact. energy: -0.163
local terms energy: -55.778788
where:
bonds (distance) C4'-P energy: -12.997
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -3.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -98.421403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.421403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.421403 (E_RNA)
where:
Base-Base interactions energy: -41.381
where: short stacking energy: -40.742
Base-Backbone interact. energy: -0.147
local terms energy: -56.893060
where:
bonds (distance) C4'-P energy: -8.681
bonds (distance) P-C4' energy: -14.100
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -76.810787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.810787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.810787 (E_RNA)
where:
Base-Base interactions energy: -27.105
where: short stacking energy: -23.721
Base-Backbone interact. energy: -0.186
local terms energy: -49.519448
where:
bonds (distance) C4'-P energy: -13.484
bonds (distance) P-C4' energy: -11.315
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -6.499
tors. eta vs tors. theta energy: -2.337
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: 9
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -252.236083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.236083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.236083 (E_RNA)
where:
Base-Base interactions energy: -183.347
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.159
local terms energy: -68.730587
where:
bonds (distance) C4'-P energy: -7.780
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -9.354
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: 4
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -245.711509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.711509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.711509 (E_RNA)
where:
Base-Base interactions energy: -166.569
where: short stacking energy: -69.936
Base-Backbone interact. energy: -0.011
local terms energy: -79.131032
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -19.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -242.568104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.568104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.568104 (E_RNA)
where:
Base-Base interactions energy: -164.538
where: short stacking energy: -77.839
Base-Backbone interact. energy: -0.578
local terms energy: -77.452284
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -10.060
tors. eta vs tors. theta energy: -19.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -242.666966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.666966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.666966 (E_RNA)
where:
Base-Base interactions energy: -168.168
where: short stacking energy: -76.486
Base-Backbone interact. energy: 0.093
local terms energy: -74.592630
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -14.829
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -16.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -108.356896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.356896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.356896 (E_RNA)
where:
Base-Base interactions energy: -44.537
where: short stacking energy: -44.537
Base-Backbone interact. energy: 0.062
local terms energy: -63.881810
where:
bonds (distance) C4'-P energy: -11.317
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -8.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -187.462774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.462774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.462774 (E_RNA)
where:
Base-Base interactions energy: -109.413
where: short stacking energy: -62.378
Base-Backbone interact. energy: -0.415
local terms energy: -77.634760
where:
bonds (distance) C4'-P energy: -16.562
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -7.258
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -165.624068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.624068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.624068 (E_RNA)
where:
Base-Base interactions energy: -97.426
where: short stacking energy: -39.286
Base-Backbone interact. energy: -0.064
local terms energy: -68.134885
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -14.277
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -8.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -91.905661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.905661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.905661 (E_RNA)
where:
Base-Base interactions energy: -38.975
where: short stacking energy: -27.893
Base-Backbone interact. energy: -0.423
local terms energy: -52.507163
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.339
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -90.468684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.468684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.468684 (E_RNA)
where:
Base-Base interactions energy: -39.017
where: short stacking energy: -26.191
Base-Backbone interact. energy: -0.333
local terms energy: -51.118246
where:
bonds (distance) C4'-P energy: -10.938
bonds (distance) P-C4' energy: -14.731
flat angles C4'-P-C4' energy: -13.449
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -0.995
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: 10, replica: 3
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -79.582320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.582320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.582320 (E_RNA)
where:
Base-Base interactions energy: -30.527
where: short stacking energy: -22.898
Base-Backbone interact. energy: -0.552
local terms energy: -48.504111
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -11.139
flat angles C4'-P-C4' energy: -7.061
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -5.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -251.372981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.372981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.372981 (E_RNA)
where:
Base-Base interactions energy: -177.851
where: short stacking energy: -71.591
Base-Backbone interact. energy: -1.038
local terms energy: -72.483431
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -12.711
flat angles P-C4'-P energy: -11.089
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -242.592451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.592451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.592451 (E_RNA)
where:
Base-Base interactions energy: -162.894
where: short stacking energy: -67.884
Base-Backbone interact. energy: -0.147
local terms energy: -79.551496
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.247
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -17.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -239.882586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.882586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.882586 (E_RNA)
where:
Base-Base interactions energy: -165.046
where: short stacking energy: -76.112
Base-Backbone interact. energy: -0.485
local terms energy: -74.351634
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -15.998
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -19.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -230.230126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.230126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.230126 (E_RNA)
where:
Base-Base interactions energy: -147.762
where: short stacking energy: -59.400
Base-Backbone interact. energy: -1.362
local terms energy: -81.106337
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.360
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: 5, replica: 8
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -183.741014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.741014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.741014 (E_RNA)
where:
Base-Base interactions energy: -115.271
where: short stacking energy: -57.807
Base-Backbone interact. energy: -0.007
local terms energy: -68.463757
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -105.035272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.035272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.035272 (E_RNA)
where:
Base-Base interactions energy: -40.460
where: short stacking energy: -28.286
Base-Backbone interact. energy: -0.323
local terms energy: -64.251972
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -15.480
flat angles C4'-P-C4' energy: -17.345
flat angles P-C4'-P energy: -14.539
tors. eta vs tors. theta energy: -0.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -145.766677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.766677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.766677 (E_RNA)
where:
Base-Base interactions energy: -82.157
where: short stacking energy: -39.429
Base-Backbone interact. energy: -0.020
local terms energy: -63.589322
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -11.946
flat angles P-C4'-P energy: -11.427
tors. eta vs tors. theta energy: -8.677
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: 7
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -101.488897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.488897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.488897 (E_RNA)
where:
Base-Base interactions energy: -46.859
where: short stacking energy: -42.240
Base-Backbone interact. energy: 0.031
local terms energy: -54.660397
where:
bonds (distance) C4'-P energy: -10.746
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -14.550
flat angles P-C4'-P energy: -5.069
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: 9, replica: 3
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -92.430145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.430145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.430145 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -34.064
Base-Backbone interact. energy: -0.066
local terms energy: -55.490913
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -13.060
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -4.656
tors. eta vs tors. theta energy: -8.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -89.802453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802453 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -28.333
Base-Backbone interact. energy: -0.320
local terms energy: -54.585025
where:
bonds (distance) C4'-P energy: -13.053
bonds (distance) P-C4' energy: -15.057
flat angles C4'-P-C4' energy: -11.496
flat angles P-C4'-P energy: -8.694
tors. eta vs tors. theta energy: -6.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -246.174193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.174193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.174193 (E_RNA)
where:
Base-Base interactions energy: -161.032
where: short stacking energy: -69.020
Base-Backbone interact. energy: -0.411
local terms energy: -84.731488
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -16.557
flat angles P-C4'-P energy: -13.978
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: 2, replica: 2
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -244.027391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.027391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.027391 (E_RNA)
where:
Base-Base interactions energy: -163.169
where: short stacking energy: -72.641
Base-Backbone interact. energy: -0.276
local terms energy: -80.582274
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.225
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -23.008
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: 9
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -245.335392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.335392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.335392 (E_RNA)
where:
Base-Base interactions energy: -169.982
where: short stacking energy: -63.825
Base-Backbone interact. energy: -0.816
local terms energy: -74.537403
where:
bonds (distance) C4'-P energy: -13.669
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -12.461
tors. eta vs tors. theta energy: -16.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -228.987574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.987574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.987574 (E_RNA)
where:
Base-Base interactions energy: -163.600
where: short stacking energy: -65.791
Base-Backbone interact. energy: -0.097
local terms energy: -65.290423
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -14.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -194.501931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.501931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.501931 (E_RNA)
where:
Base-Base interactions energy: -129.474
where: short stacking energy: -61.830
Base-Backbone interact. energy: -0.342
local terms energy: -64.686559
where:
bonds (distance) C4'-P energy: -12.510
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -14.396
flat angles P-C4'-P energy: -6.233
tors. eta vs tors. theta energy: -14.063
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: 1
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -159.539540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.539540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.539540 (E_RNA)
where:
Base-Base interactions energy: -90.664
where: short stacking energy: -50.415
Base-Backbone interact. energy: 0.553
local terms energy: -69.428693
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -14.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -95.543910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.543910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.543910 (E_RNA)
where:
Base-Base interactions energy: -35.037
where: short stacking energy: -31.124
Base-Backbone interact. energy: 0.415
local terms energy: -60.921981
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.285
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -6.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -94.373693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.373693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.373693 (E_RNA)
where:
Base-Base interactions energy: -36.129
where: short stacking energy: -36.974
Base-Backbone interact. energy: 0.253
local terms energy: -58.497712
where:
bonds (distance) C4'-P energy: -11.305
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -3.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -81.978717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.978717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.978717 (E_RNA)
where:
Base-Base interactions energy: -33.558
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.053
local terms energy: -48.368188
where:
bonds (distance) C4'-P energy: -11.848
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -13.356
flat angles P-C4'-P energy: -1.443
tors. eta vs tors. theta energy: -3.869
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: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -88.509475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.509475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.509475 (E_RNA)
where:
Base-Base interactions energy: -44.152
where: short stacking energy: -19.578
Base-Backbone interact. energy: -0.418
local terms energy: -43.939952
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -13.010
flat angles C4'-P-C4' energy: -11.221
flat angles P-C4'-P energy: -9.514
tors. eta vs tors. theta energy: 4.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -247.647591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.647591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.647591 (E_RNA)
where:
Base-Base interactions energy: -167.991
where: short stacking energy: -68.444
Base-Backbone interact. energy: -0.531
local terms energy: -79.125569
where:
bonds (distance) C4'-P energy: -17.777
bonds (distance) P-C4' energy: -17.046
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -11.402
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: 2, replica: 4
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -237.319950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.319950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.319950 (E_RNA)
where:
Base-Base interactions energy: -164.134
where: short stacking energy: -68.660
Base-Backbone interact. energy: 1.291
local terms energy: -74.477480
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -11.647
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -15.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -237.176656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.176656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.176656 (E_RNA)
where:
Base-Base interactions energy: -169.070
where: short stacking energy: -73.385
Base-Backbone interact. energy: 2.003
local terms energy: -70.110108
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -12.320
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: 4, replica: 9
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -232.660846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.660846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.660846 (E_RNA)
where:
Base-Base interactions energy: -165.258
where: short stacking energy: -65.941
Base-Backbone interact. energy: -1.016
local terms energy: -66.386888
where:
bonds (distance) C4'-P energy: -10.836
bonds (distance) P-C4' energy: -15.864
flat angles C4'-P-C4' energy: -16.814
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: -14.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -171.927797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.927797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.927797 (E_RNA)
where:
Base-Base interactions energy: -102.171
where: short stacking energy: -47.127
Base-Backbone interact. energy: 0.084
local terms energy: -69.841530
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -10.358
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: 6, replica: 8
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -194.104040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.104040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.104040 (E_RNA)
where:
Base-Base interactions energy: -125.237
where: short stacking energy: -58.577
Base-Backbone interact. energy: -0.142
local terms energy: -68.725184
where:
bonds (distance) C4'-P energy: -16.318
bonds (distance) P-C4' energy: -15.414
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -7.538
tors. eta vs tors. theta energy: -13.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -99.103608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.103608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.103608 (E_RNA)
where:
Base-Base interactions energy: -40.943
where: short stacking energy: -37.881
Base-Backbone interact. energy: -0.169
local terms energy: -57.991734
where:
bonds (distance) C4'-P energy: -13.968
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -7.279
flat angles P-C4'-P energy: -13.042
tors. eta vs tors. theta energy: -6.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -105.674621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.674621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.674621 (E_RNA)
where:
Base-Base interactions energy: -52.355
where: short stacking energy: -38.885
Base-Backbone interact. energy: 0.357
local terms energy: -53.676918
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -16.166
flat angles C4'-P-C4' energy: -13.886
flat angles P-C4'-P energy: -4.886
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: 9, replica: 10
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -92.406517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.406517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.406517 (E_RNA)
where:
Base-Base interactions energy: -36.336
where: short stacking energy: -24.421
Base-Backbone interact. energy: -0.948
local terms energy: -55.122900
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -17.034
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: 2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -79.539060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.539060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.539060 (E_RNA)
where:
Base-Base interactions energy: -29.533
where: short stacking energy: -16.932
Base-Backbone interact. energy: -1.207
local terms energy: -48.799058
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -2.222
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -245.063200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.063200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.063200 (E_RNA)
where:
Base-Base interactions energy: -163.361
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.514
local terms energy: -81.188200
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -19.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -244.678216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.678216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.678216 (E_RNA)
where:
Base-Base interactions energy: -167.142
where: short stacking energy: -66.589
Base-Backbone interact. energy: -0.129
local terms energy: -77.406780
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -9.899
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: 407
Temperature: 1.000000
Total energy: -236.419956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.419956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.419956 (E_RNA)
where:
Base-Base interactions energy: -166.216
where: short stacking energy: -65.322
Base-Backbone interact. energy: 2.174
local terms energy: -72.377688
where:
bonds (distance) C4'-P energy: -16.277
bonds (distance) P-C4' energy: -10.878
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -9.168
tors. eta vs tors. theta energy: -17.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -234.963355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.963355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.963355 (E_RNA)
where:
Base-Base interactions energy: -159.983
where: short stacking energy: -63.730
Base-Backbone interact. energy: -1.351
local terms energy: -73.628535
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -14.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -172.215589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.215589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.215589 (E_RNA)
where:
Base-Base interactions energy: -103.550
where: short stacking energy: -58.176
Base-Backbone interact. energy: -0.133
local terms energy: -68.532577
where:
bonds (distance) C4'-P energy: -11.932
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -15.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -168.410968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.410968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.410968 (E_RNA)
where:
Base-Base interactions energy: -99.403
where: short stacking energy: -47.250
Base-Backbone interact. energy: 0.075
local terms energy: -69.082726
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -15.733
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -11.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -108.491882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.491882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.491882 (E_RNA)
where:
Base-Base interactions energy: -51.159
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.801
local terms energy: -56.531979
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: -9.705
tors. eta vs tors. theta energy: -1.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -97.706380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.706380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.706380 (E_RNA)
where:
Base-Base interactions energy: -46.503
where: short stacking energy: -38.800
Base-Backbone interact. energy: -0.034
local terms energy: -51.169811
where:
bonds (distance) C4'-P energy: -11.997
bonds (distance) P-C4' energy: -16.061
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -9.778
tors. eta vs tors. theta energy: -3.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -98.956234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.956234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.956234 (E_RNA)
where:
Base-Base interactions energy: -39.573
where: short stacking energy: -29.576
Base-Backbone interact. energy: -0.185
local terms energy: -59.198984
where:
bonds (distance) C4'-P energy: -17.113
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -7.011
tors. eta vs tors. theta energy: -3.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -81.177053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.177053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.177053 (E_RNA)
where:
Base-Base interactions energy: -29.206
where: short stacking energy: -26.684
Base-Backbone interact. energy: 1.143
local terms energy: -53.113298
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -10.320
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -0.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -240.065410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.065410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.065410 (E_RNA)
where:
Base-Base interactions energy: -161.051
where: short stacking energy: -71.430
Base-Backbone interact. energy: 0.039
local terms energy: -79.053855
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -13.013
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: 408
Temperature: 0.950000
Total energy: -242.480408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.480408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.480408 (E_RNA)
where:
Base-Base interactions energy: -158.124
where: short stacking energy: -69.722
Base-Backbone interact. energy: -1.128
local terms energy: -83.228281
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -17.283
flat angles P-C4'-P energy: -11.533
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -241.506546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.506546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.506546 (E_RNA)
where:
Base-Base interactions energy: -165.366
where: short stacking energy: -66.264
Base-Backbone interact. energy: 0.423
local terms energy: -76.563454
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -16.572
flat angles C4'-P-C4' energy: -14.612
flat angles P-C4'-P energy: -13.023
tors. eta vs tors. theta energy: -16.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -230.575113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.575113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.575113 (E_RNA)
where:
Base-Base interactions energy: -154.635
where: short stacking energy: -61.520
Base-Backbone interact. energy: -0.316
local terms energy: -75.624420
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -13.252
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -15.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -159.698792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.698792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.698792 (E_RNA)
where:
Base-Base interactions energy: -100.293
where: short stacking energy: -44.783
Base-Backbone interact. energy: -0.245
local terms energy: -59.161449
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -5.267
tors. eta vs tors. theta energy: -11.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -129.703364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.703364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.703364 (E_RNA)
where:
Base-Base interactions energy: -67.810
where: short stacking energy: -36.744
Base-Backbone interact. energy: -0.166
local terms energy: -61.727389
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -8.781
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: 7, replica: 10
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -99.767205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.767205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.767205 (E_RNA)
where:
Base-Base interactions energy: -40.009
where: short stacking energy: -40.009
Base-Backbone interact. energy: -0.113
local terms energy: -59.645324
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -14.534
flat angles C4'-P-C4' energy: -13.064
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -6.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -94.994757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994757 (E_RNA)
where:
Base-Base interactions energy: -47.061
where: short stacking energy: -30.785
Base-Backbone interact. energy: -0.359
local terms energy: -47.574327
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -11.376
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: 2.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -92.063889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.063889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.063889 (E_RNA)
where:
Base-Base interactions energy: -34.050
where: short stacking energy: -32.934
Base-Backbone interact. energy: -0.052
local terms energy: -57.962040
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -15.873
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -90.001834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.001834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.001834 (E_RNA)
where:
Base-Base interactions energy: -32.433
where: short stacking energy: -26.155
Base-Backbone interact. energy: -0.389
local terms energy: -57.180004
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -4.812
tors. eta vs tors. theta energy: -5.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -241.075076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.075076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.075076 (E_RNA)
where:
Base-Base interactions energy: -160.011
where: short stacking energy: -77.176
Base-Backbone interact. energy: -0.364
local terms energy: -80.699246
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -6.766
tors. eta vs tors. theta energy: -19.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -244.549014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.549014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.549014 (E_RNA)
where:
Base-Base interactions energy: -165.962
where: short stacking energy: -70.917
Base-Backbone interact. energy: -0.399
local terms energy: -78.187785
where:
bonds (distance) C4'-P energy: -17.326
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -13.281
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -240.835603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.835603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.835603 (E_RNA)
where:
Base-Base interactions energy: -167.307
where: short stacking energy: -67.296
Base-Backbone interact. energy: -0.251
local terms energy: -73.277221
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -17.173
flat angles C4'-P-C4' energy: -14.070
flat angles P-C4'-P energy: -11.930
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: 4
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -237.626179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.626179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.626179 (E_RNA)
where:
Base-Base interactions energy: -162.622
where: short stacking energy: -58.051
Base-Backbone interact. energy: -0.332
local terms energy: -74.672604
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -16.085
flat angles P-C4'-P energy: -12.757
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: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -180.934543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.934543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.934543 (E_RNA)
where:
Base-Base interactions energy: -116.435
where: short stacking energy: -59.125
Base-Backbone interact. energy: -0.089
local terms energy: -64.410819
where:
bonds (distance) C4'-P energy: -12.183
bonds (distance) P-C4' energy: -10.062
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -6.734
tors. eta vs tors. theta energy: -17.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -99.514367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.514367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.514367 (E_RNA)
where:
Base-Base interactions energy: -44.733
where: short stacking energy: -38.431
Base-Backbone interact. energy: -0.053
local terms energy: -54.728590
where:
bonds (distance) C4'-P energy: -15.148
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -9.135
flat angles P-C4'-P energy: -9.276
tors. eta vs tors. theta energy: -7.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -87.942525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.942525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.942525 (E_RNA)
where:
Base-Base interactions energy: -32.601
where: short stacking energy: -31.552
Base-Backbone interact. energy: -0.110
local terms energy: -55.231577
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -9.824
flat angles P-C4'-P energy: -11.591
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: 8, replica: 3
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -121.733460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.733460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.733460 (E_RNA)
where:
Base-Base interactions energy: -71.479
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.152
local terms energy: -50.102751
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -14.065
flat angles P-C4'-P energy: -7.559
tors. eta vs tors. theta energy: 0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -92.889544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.889544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.889544 (E_RNA)
where:
Base-Base interactions energy: -46.815
where: short stacking energy: -34.536
Base-Backbone interact. energy: -0.273
local terms energy: -45.802201
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -8.310
flat angles P-C4'-P energy: -3.961
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -82.778788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.778788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.778788 (E_RNA)
where:
Base-Base interactions energy: -27.285
where: short stacking energy: -25.806
Base-Backbone interact. energy: 0.400
local terms energy: -55.893363
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -7.230
tors. eta vs tors. theta energy: -6.343
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -245.310884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.310884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.310884 (E_RNA)
where:
Base-Base interactions energy: -168.990
where: short stacking energy: -72.661
Base-Backbone interact. energy: -0.854
local terms energy: -75.466307
where:
bonds (distance) C4'-P energy: -15.292
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -17.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -243.500887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.500887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.500887 (E_RNA)
where:
Base-Base interactions energy: -164.861
where: short stacking energy: -68.129
Base-Backbone interact. energy: -0.474
local terms energy: -78.165459
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -17.796
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: 4
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -241.300862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.300862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.300862 (E_RNA)
where:
Base-Base interactions energy: -168.059
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.233
local terms energy: -73.009302
where:
bonds (distance) C4'-P energy: -12.125
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -11.321
tors. eta vs tors. theta energy: -18.319
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: 4, replica: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -229.172121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.172121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.172121 (E_RNA)
where:
Base-Base interactions energy: -156.411
where: short stacking energy: -64.819
Base-Backbone interact. energy: -0.253
local terms energy: -72.507557
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -14.150
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -11.378
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: 5, replica: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -186.613817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.613817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.613817 (E_RNA)
where:
Base-Base interactions energy: -123.890
where: short stacking energy: -51.977
Base-Backbone interact. energy: -0.070
local terms energy: -62.653388
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -16.677
flat angles C4'-P-C4' energy: -14.918
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -6.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -95.808990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.808990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.808990 (E_RNA)
where:
Base-Base interactions energy: -37.766
where: short stacking energy: -34.470
Base-Backbone interact. energy: -0.344
local terms energy: -57.698878
where:
bonds (distance) C4'-P energy: -17.379
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -14.160
flat angles P-C4'-P energy: -4.008
tors. eta vs tors. theta energy: -4.482
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: 410
Temperature: 1.200000
Total energy: -94.905441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.905441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.905441 (E_RNA)
where:
Base-Base interactions energy: -37.785
where: short stacking energy: -23.912
Base-Backbone interact. energy: -0.500
local terms energy: -56.620163
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -12.762
tors. eta vs tors. theta energy: -1.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -100.727285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.727285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.727285 (E_RNA)
where:
Base-Base interactions energy: -43.564
where: short stacking energy: -43.564
Base-Backbone interact. energy: -0.047
local terms energy: -57.115606
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -11.972
flat angles P-C4'-P energy: -7.311
tors. eta vs tors. theta energy: -6.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -93.208207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.208207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.208207 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.104
local terms energy: -50.551244
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -12.906
flat angles C4'-P-C4' energy: -7.606
flat angles P-C4'-P energy: -7.155
tors. eta vs tors. theta energy: -5.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -85.434732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.434732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.434732 (E_RNA)
where:
Base-Base interactions energy: -36.190
where: short stacking energy: -36.190
Base-Backbone interact. energy: -0.392
local terms energy: -48.853439
where:
bonds (distance) C4'-P energy: -14.315
bonds (distance) P-C4' energy: -12.791
flat angles C4'-P-C4' energy: -8.958
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -2.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -245.603724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.603724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.603724 (E_RNA)
where:
Base-Base interactions energy: -170.981
where: short stacking energy: -69.004
Base-Backbone interact. energy: -0.336
local terms energy: -74.286428
where:
bonds (distance) C4'-P energy: -16.037
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -17.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -246.494362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.494362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.494362 (E_RNA)
where:
Base-Base interactions energy: -161.758
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.144
local terms energy: -84.592090
where:
bonds (distance) C4'-P energy: -20.231
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -20.061
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -229.143680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.143680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.143680 (E_RNA)
where:
Base-Base interactions energy: -150.781
where: short stacking energy: -74.474
Base-Backbone interact. energy: -0.272
local terms energy: -78.090137
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -15.209
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -16.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -226.964308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.964308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.964308 (E_RNA)
where:
Base-Base interactions energy: -164.317
where: short stacking energy: -66.986
Base-Backbone interact. energy: -0.836
local terms energy: -61.811549
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -4.467
flat angles C4'-P-C4' energy: -16.847
flat angles P-C4'-P energy: -7.500
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: 1
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -194.097460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.097460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.097460 (E_RNA)
where:
Base-Base interactions energy: -120.439
where: short stacking energy: -49.296
Base-Backbone interact. energy: -0.354
local terms energy: -73.304684
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -7.250
tors. eta vs tors. theta energy: -15.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -104.168195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.168195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.168195 (E_RNA)
where:
Base-Base interactions energy: -47.187
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.153
local terms energy: -56.828004
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -15.536
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -11.728
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: 7, replica: 10
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -93.814643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.814643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.814643 (E_RNA)
where:
Base-Base interactions energy: -37.565
where: short stacking energy: -37.565
Base-Backbone interact. energy: -0.223
local terms energy: -56.027056
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -6.561
tors. eta vs tors. theta energy: -3.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -110.288461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.288461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.288461 (E_RNA)
where:
Base-Base interactions energy: -45.423
where: short stacking energy: -44.142
Base-Backbone interact. energy: 0.117
local terms energy: -64.982008
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -16.383
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -6.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -84.138698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138698 (E_RNA)
where:
Base-Base interactions energy: -31.447
where: short stacking energy: -20.209
Base-Backbone interact. energy: -0.125
local terms energy: -52.567554
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.595
flat angles C4'-P-C4' energy: -14.083
flat angles P-C4'-P energy: -4.271
tors. eta vs tors. theta energy: -3.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -77.157679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.157679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.157679 (E_RNA)
where:
Base-Base interactions energy: -29.570
where: short stacking energy: -18.368
Base-Backbone interact. energy: 0.065
local terms energy: -47.653266
where:
bonds (distance) C4'-P energy: -15.352
bonds (distance) P-C4' energy: -15.462
flat angles C4'-P-C4' energy: -14.020
flat angles P-C4'-P energy: -4.329
tors. eta vs tors. theta energy: 1.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -239.743839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.743839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.743839 (E_RNA)
where:
Base-Base interactions energy: -157.382
where: short stacking energy: -70.907
Base-Backbone interact. energy: -0.277
local terms energy: -82.084757
where:
bonds (distance) C4'-P energy: -15.744
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -239.825230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825230 (E_RNA)
where:
Base-Base interactions energy: -161.506
where: short stacking energy: -77.878
Base-Backbone interact. energy: 0.808
local terms energy: -79.126423
where:
bonds (distance) C4'-P energy: -14.717
bonds (distance) P-C4' energy: -16.882
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -20.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -233.221209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.221209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.221209 (E_RNA)
where:
Base-Base interactions energy: -159.211
where: short stacking energy: -63.432
Base-Backbone interact. energy: -0.259
local terms energy: -73.751317
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.549
tors. eta vs tors. theta energy: -14.902
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: 4
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -225.723179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.723179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.723179 (E_RNA)
where:
Base-Base interactions energy: -149.666
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.042
local terms energy: -76.015199
where:
bonds (distance) C4'-P energy: -12.971
bonds (distance) P-C4' energy: -14.201
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -13.609
tors. eta vs tors. theta energy: -18.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -187.583375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.583375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.583375 (E_RNA)
where:
Base-Base interactions energy: -108.520
where: short stacking energy: -57.979
Base-Backbone interact. energy: -1.003
local terms energy: -78.060381
where:
bonds (distance) C4'-P energy: -15.743
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -15.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -108.452053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.452053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.452053 (E_RNA)
where:
Base-Base interactions energy: -45.259
where: short stacking energy: -44.607
Base-Backbone interact. energy: -0.014
local terms energy: -63.178664
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -12.072
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -10.816
tors. eta vs tors. theta energy: -10.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -113.373343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.373343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.373343 (E_RNA)
where:
Base-Base interactions energy: -48.518
where: short stacking energy: -42.267
Base-Backbone interact. energy: -0.173
local terms energy: -64.682281
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -8.099
tors. eta vs tors. theta energy: -11.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -100.285503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.285503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.285503 (E_RNA)
where:
Base-Base interactions energy: -38.774
where: short stacking energy: -29.453
Base-Backbone interact. energy: -0.095
local terms energy: -61.416986
where:
bonds (distance) C4'-P energy: -15.528
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -13.611
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -4.531
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: 9, replica: 7
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -83.976434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.976434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.976434 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -27.890
Base-Backbone interact. energy: -0.422
local terms energy: -51.597279
where:
bonds (distance) C4'-P energy: -14.966
bonds (distance) P-C4' energy: -17.421
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -0.816
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: 10, replica: 3
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -81.853534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.853534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.853534 (E_RNA)
where:
Base-Base interactions energy: -36.931
where: short stacking energy: -36.931
Base-Backbone interact. energy: -0.146
local terms energy: -44.776617
where:
bonds (distance) C4'-P energy: -12.509
bonds (distance) P-C4' energy: -10.370
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -6.920
tors. eta vs tors. theta energy: -1.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -243.846661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.846661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.846661 (E_RNA)
where:
Base-Base interactions energy: -166.779
where: short stacking energy: -66.847
Base-Backbone interact. energy: -0.186
local terms energy: -76.880912
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -13.560
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: 2, replica: 9
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -241.555244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.555244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.555244 (E_RNA)
where:
Base-Base interactions energy: -168.570
where: short stacking energy: -62.171
Base-Backbone interact. energy: -0.509
local terms energy: -72.476266
where:
bonds (distance) C4'-P energy: -12.803
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -16.295
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: 2
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -231.540688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.540688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.540688 (E_RNA)
where:
Base-Base interactions energy: -147.625
where: short stacking energy: -68.222
Base-Backbone interact. energy: -0.677
local terms energy: -83.238339
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -18.739
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -18.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -191.161351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.161351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.161351 (E_RNA)
where:
Base-Base interactions energy: -121.819
where: short stacking energy: -59.129
Base-Backbone interact. energy: 0.207
local terms energy: -69.549452
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -17.071
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -12.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -233.316190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.316190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.316190 (E_RNA)
where:
Base-Base interactions energy: -162.690
where: short stacking energy: -58.182
Base-Backbone interact. energy: 0.033
local terms energy: -70.659109
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -12.830
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.628
tors. eta vs tors. theta energy: -15.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -101.607583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.607583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.607583 (E_RNA)
where:
Base-Base interactions energy: -39.078
where: short stacking energy: -39.078
Base-Backbone interact. energy: -0.114
local terms energy: -62.415996
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -16.578
flat angles C4'-P-C4' energy: -8.725
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -13.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -131.676747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.676747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.676747 (E_RNA)
where:
Base-Base interactions energy: -68.926
where: short stacking energy: -49.487
Base-Backbone interact. energy: -0.381
local terms energy: -62.369892
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -12.621
flat angles C4'-P-C4' energy: -9.426
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -10.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -88.266930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.266930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.266930 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -35.101
Base-Backbone interact. energy: -0.220
local terms energy: -52.539031
where:
bonds (distance) C4'-P energy: -5.716
bonds (distance) P-C4' energy: -18.681
flat angles C4'-P-C4' energy: -9.745
flat angles P-C4'-P energy: -9.055
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -93.525472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.525472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.525472 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -30.961
Base-Backbone interact. energy: -1.575
local terms energy: -54.944299
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -10.225
flat angles P-C4'-P energy: -11.699
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: 3
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -84.667175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.667175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.667175 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -32.436
Base-Backbone interact. energy: -0.094
local terms energy: -49.405443
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -11.472
flat angles C4'-P-C4' energy: -11.964
flat angles P-C4'-P energy: -8.675
tors. eta vs tors. theta energy: -3.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -251.133008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.133008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.133008 (E_RNA)
where:
Base-Base interactions energy: -172.514
where: short stacking energy: -70.927
Base-Backbone interact. energy: 0.427
local terms energy: -79.046089
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -14.415
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: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -247.718473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.718473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.718473 (E_RNA)
where:
Base-Base interactions energy: -175.023
where: short stacking energy: -60.651
Base-Backbone interact. energy: -0.293
local terms energy: -72.402917
where:
bonds (distance) C4'-P energy: -16.864
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -9.695
tors. eta vs tors. theta energy: -15.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -189.013441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.013441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.013441 (E_RNA)
where:
Base-Base interactions energy: -110.354
where: short stacking energy: -64.386
Base-Backbone interact. energy: -0.166
local terms energy: -78.492979
where:
bonds (distance) C4'-P energy: -13.015
bonds (distance) P-C4' energy: -19.950
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -12.970
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: 4, replica: 2
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -234.898977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.898977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.898977 (E_RNA)
where:
Base-Base interactions energy: -158.327
where: short stacking energy: -71.299
Base-Backbone interact. energy: -0.315
local terms energy: -76.257327
where:
bonds (distance) C4'-P energy: -12.482
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -18.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -204.380895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.380895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.380895 (E_RNA)
where:
Base-Base interactions energy: -140.004
where: short stacking energy: -60.163
Base-Backbone interact. energy: -0.080
local terms energy: -64.297131
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.891
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.970
tors. eta vs tors. theta energy: -12.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -119.944058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.944058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.944058 (E_RNA)
where:
Base-Base interactions energy: -52.096
where: short stacking energy: -42.645
Base-Backbone interact. energy: -0.008
local terms energy: -67.839171
where:
bonds (distance) C4'-P energy: -9.761
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -8.870
tors. eta vs tors. theta energy: -12.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -100.157256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.157256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.157256 (E_RNA)
where:
Base-Base interactions energy: -37.728
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.174
local terms energy: -62.255864
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -10.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -106.263609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.263609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.263609 (E_RNA)
where:
Base-Base interactions energy: -51.289
where: short stacking energy: -36.802
Base-Backbone interact. energy: -0.335
local terms energy: -54.639393
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -14.935
flat angles P-C4'-P energy: -6.537
tors. eta vs tors. theta energy: -5.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -89.042760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.042760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.042760 (E_RNA)
where:
Base-Base interactions energy: -36.705
where: short stacking energy: -36.267
Base-Backbone interact. energy: -0.186
local terms energy: -52.152396
where:
bonds (distance) C4'-P energy: -12.502
bonds (distance) P-C4' energy: -13.778
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -7.910
tors. eta vs tors. theta energy: -1.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -83.037609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.037609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.037609 (E_RNA)
where:
Base-Base interactions energy: -35.222
where: short stacking energy: -19.008
Base-Backbone interact. energy: -0.059
local terms energy: -47.756773
where:
bonds (distance) C4'-P energy: -5.546
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -250.327141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.327141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.327141 (E_RNA)
where:
Base-Base interactions energy: -177.915
where: short stacking energy: -63.947
Base-Backbone interact. energy: -0.328
local terms energy: -72.083601
where:
bonds (distance) C4'-P energy: -16.601
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -10.201
tors. eta vs tors. theta energy: -15.428
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: 6
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -238.746408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.746408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.746408 (E_RNA)
where:
Base-Base interactions energy: -170.549
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.204
local terms energy: -67.993538
where:
bonds (distance) C4'-P energy: -12.213
bonds (distance) P-C4' energy: -11.768
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.962
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: 3, replica: 1
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -218.931681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.931681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.931681 (E_RNA)
where:
Base-Base interactions energy: -141.336
where: short stacking energy: -67.591
Base-Backbone interact. energy: -0.684
local terms energy: -76.911261
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -15.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -224.057349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.057349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.057349 (E_RNA)
where:
Base-Base interactions energy: -152.204
where: short stacking energy: -69.417
Base-Backbone interact. energy: -0.422
local terms energy: -71.430992
where:
bonds (distance) C4'-P energy: -13.372
bonds (distance) P-C4' energy: -13.595
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -20.293
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: 415
Temperature: 1.100000
Total energy: -222.707909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.707909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.707909 (E_RNA)
where:
Base-Base interactions energy: -150.455
where: short stacking energy: -65.325
Base-Backbone interact. energy: -0.109
local terms energy: -72.143803
where:
bonds (distance) C4'-P energy: -11.532
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -17.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -110.483041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.483041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.483041 (E_RNA)
where:
Base-Base interactions energy: -52.723
where: short stacking energy: -43.338
Base-Backbone interact. energy: -0.331
local terms energy: -57.429524
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -0.921
tors. eta vs tors. theta energy: -9.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -102.485229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.485229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.485229 (E_RNA)
where:
Base-Base interactions energy: -38.142
where: short stacking energy: -33.499
Base-Backbone interact. energy: -0.099
local terms energy: -64.244977
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.724
tors. eta vs tors. theta energy: -11.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -89.061612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.061612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.061612 (E_RNA)
where:
Base-Base interactions energy: -38.486
where: short stacking energy: -30.133
Base-Backbone interact. energy: -0.017
local terms energy: -50.558619
where:
bonds (distance) C4'-P energy: -9.120
bonds (distance) P-C4' energy: -17.749
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -3.756
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: 9, replica: 7
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -85.821641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.821641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.821641 (E_RNA)
where:
Base-Base interactions energy: -29.306
where: short stacking energy: -29.306
Base-Backbone interact. energy: 1.431
local terms energy: -57.946767
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.589
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -6.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -82.305873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.305873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.305873 (E_RNA)
where:
Base-Base interactions energy: -33.673
where: short stacking energy: -29.870
Base-Backbone interact. energy: 2.432
local terms energy: -51.065007
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -15.263
flat angles C4'-P-C4' energy: -15.245
flat angles P-C4'-P energy: -5.727
tors. eta vs tors. theta energy: -4.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -253.981106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.981106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.981106 (E_RNA)
where:
Base-Base interactions energy: -172.808
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.304
local terms energy: -80.869327
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -17.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -230.491572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.491572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.491572 (E_RNA)
where:
Base-Base interactions energy: -155.271
where: short stacking energy: -63.378
Base-Backbone interact. energy: -0.485
local terms energy: -74.735741
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -17.780
flat angles C4'-P-C4' energy: -14.853
flat angles P-C4'-P energy: -9.344
tors. eta vs tors. theta energy: -16.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -238.735875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.735875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.735875 (E_RNA)
where:
Base-Base interactions energy: -162.884
where: short stacking energy: -71.683
Base-Backbone interact. energy: -0.125
local terms energy: -75.727027
where:
bonds (distance) C4'-P energy: -10.581
bonds (distance) P-C4' energy: -16.067
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -14.984
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: 4, replica: 1
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -219.888802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.888802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.888802 (E_RNA)
where:
Base-Base interactions energy: -147.588
where: short stacking energy: -58.607
Base-Backbone interact. energy: -0.224
local terms energy: -72.076675
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -9.300
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -210.988026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.988026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.988026 (E_RNA)
where:
Base-Base interactions energy: -136.709
where: short stacking energy: -67.629
Base-Backbone interact. energy: -0.177
local terms energy: -74.101197
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -105.305513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.305513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.305513 (E_RNA)
where:
Base-Base interactions energy: -45.391
where: short stacking energy: -43.415
Base-Backbone interact. energy: -0.266
local terms energy: -59.648956
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -14.415
flat angles C4'-P-C4' energy: -11.054
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -6.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -106.484565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.484565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.484565 (E_RNA)
where:
Base-Base interactions energy: -47.309
where: short stacking energy: -32.503
Base-Backbone interact. energy: -0.249
local terms energy: -58.926156
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -0.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -92.261014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.261014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.261014 (E_RNA)
where:
Base-Base interactions energy: -34.901
where: short stacking energy: -34.901
Base-Backbone interact. energy: 0.202
local terms energy: -57.562509
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -13.849
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -13.304
tors. eta vs tors. theta energy: -4.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -92.283819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.283819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.283819 (E_RNA)
where:
Base-Base interactions energy: -34.734
where: short stacking energy: -31.273
Base-Backbone interact. energy: 0.387
local terms energy: -57.937328
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -11.768
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -5.638
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: 10, replica: 7
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -79.334398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.334398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.334398 (E_RNA)
where:
Base-Base interactions energy: -26.869
where: short stacking energy: -21.160
Base-Backbone interact. energy: -1.401
local terms energy: -51.065027
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -17.015
flat angles C4'-P-C4' energy: -10.744
flat angles P-C4'-P energy: -10.127
tors. eta vs tors. theta energy: 1.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -243.723338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.723338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.723338 (E_RNA)
where:
Base-Base interactions energy: -168.300
where: short stacking energy: -64.927
Base-Backbone interact. energy: -0.261
local terms energy: -75.162261
where:
bonds (distance) C4'-P energy: -18.082
bonds (distance) P-C4' energy: -16.177
flat angles C4'-P-C4' energy: -13.661
flat angles P-C4'-P energy: -13.921
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: 2, replica: 9
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -243.748886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.748886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.748886 (E_RNA)
where:
Base-Base interactions energy: -161.783
where: short stacking energy: -67.926
Base-Backbone interact. energy: 0.941
local terms energy: -82.907311
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -15.530
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -23.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -240.936532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.936532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.936532 (E_RNA)
where:
Base-Base interactions energy: -170.018
where: short stacking energy: -54.070
Base-Backbone interact. energy: -0.655
local terms energy: -70.263312
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -16.068
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -10.753
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: 2
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -237.269893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.269893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.269893 (E_RNA)
where:
Base-Base interactions energy: -166.410
where: short stacking energy: -66.828
Base-Backbone interact. energy: 0.381
local terms energy: -71.240857
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -18.876
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: 1
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -198.016677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.016677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.016677 (E_RNA)
where:
Base-Base interactions energy: -133.012
where: short stacking energy: -61.582
Base-Backbone interact. energy: -0.480
local terms energy: -64.524009
where:
bonds (distance) C4'-P energy: -9.973
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -11.558
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -16.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -115.771252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.771252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.771252 (E_RNA)
where:
Base-Base interactions energy: -55.410
where: short stacking energy: -39.183
Base-Backbone interact. energy: -1.830
local terms energy: -58.531172
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -14.114
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -8.612
tors. eta vs tors. theta energy: -8.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -96.063032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.063032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.063032 (E_RNA)
where:
Base-Base interactions energy: -35.370
where: short stacking energy: -35.370
Base-Backbone interact. energy: -0.275
local terms energy: -60.417198
where:
bonds (distance) C4'-P energy: -14.291
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -16.634
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -5.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -89.135076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.135076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.135076 (E_RNA)
where:
Base-Base interactions energy: -31.933
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.048
local terms energy: -57.154751
where:
bonds (distance) C4'-P energy: -12.958
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -17.382
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -2.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -89.802444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.802444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.802444 (E_RNA)
where:
Base-Base interactions energy: -28.713
where: short stacking energy: -26.318
Base-Backbone interact. energy: -0.172
local terms energy: -60.917473
where:
bonds (distance) C4'-P energy: -15.938
bonds (distance) P-C4' energy: -12.568
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -10.898
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: 10, replica: 7
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -83.592131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.592131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.592131 (E_RNA)
where:
Base-Base interactions energy: -27.312
where: short stacking energy: -24.781
Base-Backbone interact. energy: -0.797
local terms energy: -55.482601
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -12.885
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -5.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -256.941850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.941850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.941850 (E_RNA)
where:
Base-Base interactions energy: -169.105
where: short stacking energy: -72.726
Base-Backbone interact. energy: 0.276
local terms energy: -88.113061
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -11.416
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: 6
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -234.964553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.964553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.964553 (E_RNA)
where:
Base-Base interactions energy: -161.520
where: short stacking energy: -57.698
Base-Backbone interact. energy: -0.357
local terms energy: -73.088050
where:
bonds (distance) C4'-P energy: -14.509
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -11.807
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: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -229.501153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.501153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.501153 (E_RNA)
where:
Base-Base interactions energy: -147.812
where: short stacking energy: -69.633
Base-Backbone interact. energy: -0.402
local terms energy: -81.287721
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -7.168
tors. eta vs tors. theta energy: -18.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -233.921424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.921424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.921424 (E_RNA)
where:
Base-Base interactions energy: -158.965
where: short stacking energy: -69.861
Base-Backbone interact. energy: 0.425
local terms energy: -75.381367
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -18.436
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -6.640
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -188.639384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.639384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.639384 (E_RNA)
where:
Base-Base interactions energy: -112.076
where: short stacking energy: -58.387
Base-Backbone interact. energy: -0.005
local terms energy: -76.557759
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -10.723
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -116.421720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.421720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.421720 (E_RNA)
where:
Base-Base interactions energy: -52.571
where: short stacking energy: -51.128
Base-Backbone interact. energy: -0.169
local terms energy: -63.681700
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -8.453
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: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -103.421816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.421816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.421816 (E_RNA)
where:
Base-Base interactions energy: -50.456
where: short stacking energy: -38.550
Base-Backbone interact. energy: -0.004
local terms energy: -52.961976
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -9.395
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -3.447
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -95.356312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.356312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.356312 (E_RNA)
where:
Base-Base interactions energy: -34.803
where: short stacking energy: -34.803
Base-Backbone interact. energy: -1.029
local terms energy: -59.523719
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -6.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -93.856458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.856458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.856458 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -28.008
Base-Backbone interact. energy: -0.027
local terms energy: -65.821506
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -12.836
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -6.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -87.320499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.320499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.320499 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -25.211
Base-Backbone interact. energy: -0.425
local terms energy: -45.289644
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -5.370
flat angles P-C4'-P energy: -12.712
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: 1, replica: 9
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -241.401314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.401314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.401314 (E_RNA)
where:
Base-Base interactions energy: -167.592
where: short stacking energy: -68.099
Base-Backbone interact. energy: -0.464
local terms energy: -73.345388
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -14.629
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -10.341
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: 2, replica: 2
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -242.429228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.429228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.429228 (E_RNA)
where:
Base-Base interactions energy: -156.653
where: short stacking energy: -65.401
Base-Backbone interact. energy: -1.184
local terms energy: -84.592124
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -17.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -239.349772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.349772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.349772 (E_RNA)
where:
Base-Base interactions energy: -160.348
where: short stacking energy: -62.217
Base-Backbone interact. energy: -0.109
local terms energy: -78.892077
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -19.569
flat angles P-C4'-P energy: -9.679
tors. eta vs tors. theta energy: -13.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -242.864412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.864412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.864412 (E_RNA)
where:
Base-Base interactions energy: -159.636
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.370
local terms energy: -82.858444
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -15.852
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -204.271135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.271135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.271135 (E_RNA)
where:
Base-Base interactions energy: -132.315
where: short stacking energy: -70.760
Base-Backbone interact. energy: -0.043
local terms energy: -71.913266
where:
bonds (distance) C4'-P energy: -12.039
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -7.146
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: 6, replica: 10
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -114.265957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.265957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.265957 (E_RNA)
where:
Base-Base interactions energy: -51.262
where: short stacking energy: -41.107
Base-Backbone interact. energy: -0.769
local terms energy: -62.234871
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -14.452
flat angles C4'-P-C4' energy: -13.349
flat angles P-C4'-P energy: -6.267
tors. eta vs tors. theta energy: -10.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -122.293890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.293890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.293890 (E_RNA)
where:
Base-Base interactions energy: -60.829
where: short stacking energy: -48.493
Base-Backbone interact. energy: -0.048
local terms energy: -61.416555
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -15.348
flat angles C4'-P-C4' energy: -15.198
flat angles P-C4'-P energy: -8.196
tors. eta vs tors. theta energy: -11.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -97.079193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.079193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.079193 (E_RNA)
where:
Base-Base interactions energy: -40.499
where: short stacking energy: -27.516
Base-Backbone interact. energy: -0.435
local terms energy: -56.144464
where:
bonds (distance) C4'-P energy: -12.745
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: -5.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -90.914716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.914716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.914716 (E_RNA)
where:
Base-Base interactions energy: -33.804
where: short stacking energy: -32.446
Base-Backbone interact. energy: -0.066
local terms energy: -57.045077
where:
bonds (distance) C4'-P energy: -12.937
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -9.108
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -6.059
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: 419
Temperature: 1.350000
Total energy: -94.299503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.299503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.299503 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -36.207
Base-Backbone interact. energy: -0.081
local terms energy: -58.011421
where:
bonds (distance) C4'-P energy: -12.931
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -7.148
flat angles P-C4'-P energy: -10.834
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: 1, replica: 2
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -249.066909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.066909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.066909 (E_RNA)
where:
Base-Base interactions energy: -163.784
where: short stacking energy: -65.588
Base-Backbone interact. energy: -0.938
local terms energy: -84.344647
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -12.695
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: 2, replica: 9
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -239.663992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.663992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.663992 (E_RNA)
where:
Base-Base interactions energy: -161.985
where: short stacking energy: -76.110
Base-Backbone interact. energy: -0.477
local terms energy: -77.202022
where:
bonds (distance) C4'-P energy: -15.703
bonds (distance) P-C4' energy: -14.077
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -17.425
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: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -246.322757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.322757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.322757 (E_RNA)
where:
Base-Base interactions energy: -176.047
where: short stacking energy: -73.504
Base-Backbone interact. energy: -0.085
local terms energy: -70.190584
where:
bonds (distance) C4'-P energy: -12.233
bonds (distance) P-C4' energy: -14.867
flat angles C4'-P-C4' energy: -15.943
flat angles P-C4'-P energy: -6.931
tors. eta vs tors. theta energy: -20.217
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: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -225.284651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.284651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.284651 (E_RNA)
where:
Base-Base interactions energy: -148.469
where: short stacking energy: -61.531
Base-Backbone interact. energy: 0.266
local terms energy: -77.081248
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -8.274
tors. eta vs tors. theta energy: -14.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -202.540094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.540094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.540094 (E_RNA)
where:
Base-Base interactions energy: -127.504
where: short stacking energy: -66.834
Base-Backbone interact. energy: -0.057
local terms energy: -74.978410
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -17.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -115.064099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.064099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.064099 (E_RNA)
where:
Base-Base interactions energy: -48.688
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.007
local terms energy: -66.369140
where:
bonds (distance) C4'-P energy: -19.900
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -12.377
flat angles P-C4'-P energy: -10.242
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: 7, replica: 7
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -101.194552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.194552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.194552 (E_RNA)
where:
Base-Base interactions energy: -44.426
where: short stacking energy: -36.873
Base-Backbone interact. energy: -0.942
local terms energy: -55.825688
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -10.473
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: 8, replica: 3
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -92.008557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.008557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.008557 (E_RNA)
where:
Base-Base interactions energy: -36.061
where: short stacking energy: -33.471
Base-Backbone interact. energy: -0.088
local terms energy: -55.858744
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -14.907
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.733
tors. eta vs tors. theta energy: -6.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -86.290253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.290253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.290253 (E_RNA)
where:
Base-Base interactions energy: -32.287
where: short stacking energy: -30.975
Base-Backbone interact. energy: -0.152
local terms energy: -53.850683
where:
bonds (distance) C4'-P energy: -11.608
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -15.286
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: -3.034
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: 10, replica: 8
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -96.923337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.923337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.923337 (E_RNA)
where:
Base-Base interactions energy: -53.545
where: short stacking energy: -28.744
Base-Backbone interact. energy: -0.398
local terms energy: -42.980341
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -11.142
flat angles P-C4'-P energy: -6.645
tors. eta vs tors. theta energy: 0.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -242.648342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.648342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.648342 (E_RNA)
where:
Base-Base interactions energy: -166.156
where: short stacking energy: -75.874
Base-Backbone interact. energy: -0.265
local terms energy: -76.226810
where:
bonds (distance) C4'-P energy: -14.375
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -19.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -246.918774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.918774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.918774 (E_RNA)
where:
Base-Base interactions energy: -171.741
where: short stacking energy: -72.702
Base-Backbone interact. energy: -0.425
local terms energy: -74.753026
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -6.160
tors. eta vs tors. theta energy: -18.866
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: 3, replica: 9
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -236.903393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.903393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.903393 (E_RNA)
where:
Base-Base interactions energy: -154.909
where: short stacking energy: -70.652
Base-Backbone interact. energy: -0.394
local terms energy: -81.599745
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -20.089
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -195.688701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.688701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.688701 (E_RNA)
where:
Base-Base interactions energy: -123.697
where: short stacking energy: -63.052
Base-Backbone interact. energy: -0.010
local terms energy: -71.982155
where:
bonds (distance) C4'-P energy: -13.515
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -15.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -227.907207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.907207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.907207 (E_RNA)
where:
Base-Base interactions energy: -160.351
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.103
local terms energy: -67.453568
where:
bonds (distance) C4'-P energy: -12.321
bonds (distance) P-C4' energy: -12.908
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -11.578
tors. eta vs tors. theta energy: -16.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -110.222880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.222880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.222880 (E_RNA)
where:
Base-Base interactions energy: -53.674
where: short stacking energy: -43.264
Base-Backbone interact. energy: 0.102
local terms energy: -56.650884
where:
bonds (distance) C4'-P energy: -17.192
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -5.632
tors. eta vs tors. theta energy: -6.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -103.837344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.837344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.837344 (E_RNA)
where:
Base-Base interactions energy: -43.132
where: short stacking energy: -36.377
Base-Backbone interact. energy: -0.647
local terms energy: -60.058625
where:
bonds (distance) C4'-P energy: -10.208
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -5.554
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: 8, replica: 5
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -100.194058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.194058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.194058 (E_RNA)
where:
Base-Base interactions energy: -39.264
where: short stacking energy: -39.264
Base-Backbone interact. energy: -0.043
local terms energy: -60.887482
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -14.259
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -8.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -93.445143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.445143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.445143 (E_RNA)
where:
Base-Base interactions energy: -39.404
where: short stacking energy: -31.420
Base-Backbone interact. energy: -0.305
local terms energy: -53.735574
where:
bonds (distance) C4'-P energy: -14.886
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -13.168
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -0.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -94.549709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.549709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.549709 (E_RNA)
where:
Base-Base interactions energy: -37.159
where: short stacking energy: -35.004
Base-Backbone interact. energy: -0.148
local terms energy: -57.242256
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -10.379
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -247.958241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.958241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.958241 (E_RNA)
where:
Base-Base interactions energy: -169.121
where: short stacking energy: -76.145
Base-Backbone interact. energy: -0.293
local terms energy: -78.544601
where:
bonds (distance) C4'-P energy: -14.625
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -5.148
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -237.377129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.377129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.377129 (E_RNA)
where:
Base-Base interactions energy: -155.167
where: short stacking energy: -64.739
Base-Backbone interact. energy: -0.695
local terms energy: -81.515059
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -9.389
tors. eta vs tors. theta energy: -19.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -234.826000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.826000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.826000 (E_RNA)
where:
Base-Base interactions energy: -151.705
where: short stacking energy: -63.195
Base-Backbone interact. energy: -1.333
local terms energy: -81.787243
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -16.414
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -21.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -208.065607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.065607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.065607 (E_RNA)
where:
Base-Base interactions energy: -134.990
where: short stacking energy: -55.019
Base-Backbone interact. energy: -0.152
local terms energy: -72.923376
where:
bonds (distance) C4'-P energy: -16.887
bonds (distance) P-C4' energy: -16.517
flat angles C4'-P-C4' energy: -15.762
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -12.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -234.127555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.127555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.127555 (E_RNA)
where:
Base-Base interactions energy: -166.966
where: short stacking energy: -64.609
Base-Backbone interact. energy: 1.110
local terms energy: -68.271503
where:
bonds (distance) C4'-P energy: -12.671
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -8.366
tors. eta vs tors. theta energy: -14.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -100.620647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.620647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.620647 (E_RNA)
where:
Base-Base interactions energy: -51.611
where: short stacking energy: -35.574
Base-Backbone interact. energy: -0.255
local terms energy: -48.754548
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -10.593
flat angles P-C4'-P energy: -4.716
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -95.434921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.434921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.434921 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -40.991
Base-Backbone interact. energy: -0.027
local terms energy: -54.417658
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -13.213
flat angles C4'-P-C4' energy: -13.111
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -103.886400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.886400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.886400 (E_RNA)
where:
Base-Base interactions energy: -37.042
where: short stacking energy: -37.145
Base-Backbone interact. energy: 0.066
local terms energy: -66.910366
where:
bonds (distance) C4'-P energy: -11.736
bonds (distance) P-C4' energy: -13.969
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -13.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -90.825855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.825855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.825855 (E_RNA)
where:
Base-Base interactions energy: -25.818
where: short stacking energy: -25.818
Base-Backbone interact. energy: -0.298
local terms energy: -64.709655
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -9.341
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: 10, replica: 3
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -78.038148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.038148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.038148 (E_RNA)
where:
Base-Base interactions energy: -26.323
where: short stacking energy: -20.850
Base-Backbone interact. energy: -0.331
local terms energy: -51.383433
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -15.241
flat angles C4'-P-C4' energy: -11.448
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -239.970605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.970605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.970605 (E_RNA)
where:
Base-Base interactions energy: -161.161
where: short stacking energy: -71.662
Base-Backbone interact. energy: 0.237
local terms energy: -79.046572
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -17.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -237.998433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.998433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.998433 (E_RNA)
where:
Base-Base interactions energy: -157.728
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.244
local terms energy: -80.026154
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -14.089
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -20.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -222.509618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.509618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.509618 (E_RNA)
where:
Base-Base interactions energy: -143.346
where: short stacking energy: -70.464
Base-Backbone interact. energy: -0.329
local terms energy: -78.834644
where:
bonds (distance) C4'-P energy: -11.642
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -19.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -227.835682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.835682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.835682 (E_RNA)
where:
Base-Base interactions energy: -159.274
where: short stacking energy: -62.040
Base-Backbone interact. energy: 0.049
local terms energy: -68.611236
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -13.604
flat angles P-C4'-P energy: -9.321
tors. eta vs tors. theta energy: -10.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -203.238902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.238902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.238902 (E_RNA)
where:
Base-Base interactions energy: -129.928
where: short stacking energy: -61.764
Base-Backbone interact. energy: -0.004
local terms energy: -73.307359
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -16.510
flat angles P-C4'-P energy: -10.064
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -100.825147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.825147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.825147 (E_RNA)
where:
Base-Base interactions energy: -35.495
where: short stacking energy: -35.047
Base-Backbone interact. energy: -0.150
local terms energy: -65.180270
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -16.052
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -4.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -100.706240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.706240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.706240 (E_RNA)
where:
Base-Base interactions energy: -51.836
where: short stacking energy: -31.333
Base-Backbone interact. energy: -0.227
local terms energy: -48.642779
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -12.507
flat angles P-C4'-P energy: -9.910
tors. eta vs tors. theta energy: 2.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -84.180315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.180315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.180315 (E_RNA)
where:
Base-Base interactions energy: -34.044
where: short stacking energy: -34.044
Base-Backbone interact. energy: -0.144
local terms energy: -49.992328
where:
bonds (distance) C4'-P energy: -9.326
bonds (distance) P-C4' energy: -15.638
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -6.208
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -85.846682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.846682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.846682 (E_RNA)
where:
Base-Base interactions energy: -28.385
where: short stacking energy: -25.250
Base-Backbone interact. energy: -0.279
local terms energy: -57.181975
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -13.600
flat angles P-C4'-P energy: -9.423
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: 423
Temperature: 1.350000
Total energy: -98.762469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.762469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.762469 (E_RNA)
where:
Base-Base interactions energy: -44.163
where: short stacking energy: -27.610
Base-Backbone interact. energy: 1.028
local terms energy: -55.626932
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -10.388
flat angles P-C4'-P energy: -11.401
tors. eta vs tors. theta energy: -2.922
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: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -247.399816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.399816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.399816 (E_RNA)
where:
Base-Base interactions energy: -168.246
where: short stacking energy: -68.846
Base-Backbone interact. energy: -0.336
local terms energy: -78.818634
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -17.423
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: 9
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -240.568070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.568070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.568070 (E_RNA)
where:
Base-Base interactions energy: -156.143
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.475
local terms energy: -83.950056
where:
bonds (distance) C4'-P energy: -15.239
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -18.121
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -23.153
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: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -234.096833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.096833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.096833 (E_RNA)
where:
Base-Base interactions energy: -159.724
where: short stacking energy: -69.602
Base-Backbone interact. energy: 0.707
local terms energy: -75.079792
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -14.917
flat angles P-C4'-P energy: -10.013
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: 4, replica: 2
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -229.570116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.570116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.570116 (E_RNA)
where:
Base-Base interactions energy: -160.369
where: short stacking energy: -66.272
Base-Backbone interact. energy: 0.419
local terms energy: -69.619808
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -13.065
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -13.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -121.172945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.172945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.172945 (E_RNA)
where:
Base-Base interactions energy: -49.648
where: short stacking energy: -40.001
Base-Backbone interact. energy: -0.001
local terms energy: -71.523503
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -11.025
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: 6, replica: 1
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -198.888651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.888651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.888651 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -56.350
Base-Backbone interact. energy: -0.019
local terms energy: -63.588354
where:
bonds (distance) C4'-P energy: -15.545
bonds (distance) P-C4' energy: -12.917
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -4.409
tors. eta vs tors. theta energy: -16.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -96.644083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644083 (E_RNA)
where:
Base-Base interactions energy: -43.302
where: short stacking energy: -28.498
Base-Backbone interact. energy: -0.322
local terms energy: -53.020333
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -12.796
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -0.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -95.528102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.528102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.528102 (E_RNA)
where:
Base-Base interactions energy: -39.457
where: short stacking energy: -28.509
Base-Backbone interact. energy: -0.047
local terms energy: -56.024079
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -12.529
flat angles C4'-P-C4' energy: -10.866
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -3.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -90.190643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.190643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.190643 (E_RNA)
where:
Base-Base interactions energy: -27.400
where: short stacking energy: -26.766
Base-Backbone interact. energy: -0.113
local terms energy: -62.677169
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -14.571
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -8.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -90.071558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.071558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.071558 (E_RNA)
where:
Base-Base interactions energy: -32.890
where: short stacking energy: -30.111
Base-Backbone interact. energy: -0.048
local terms energy: -57.133297
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -14.375
flat angles C4'-P-C4' energy: -15.306
flat angles P-C4'-P energy: -8.400
tors. eta vs tors. theta energy: -5.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -240.278902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.278902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.278902 (E_RNA)
where:
Base-Base interactions energy: -159.053
where: short stacking energy: -73.098
Base-Backbone interact. energy: -0.249
local terms energy: -80.976940
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -17.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -234.370098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.370098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.370098 (E_RNA)
where:
Base-Base interactions energy: -157.246
where: short stacking energy: -64.924
Base-Backbone interact. energy: 0.912
local terms energy: -78.036055
where:
bonds (distance) C4'-P energy: -16.932
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -11.977
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: 3, replica: 9
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -243.177016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.177016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.177016 (E_RNA)
where:
Base-Base interactions energy: -160.198
where: short stacking energy: -70.809
Base-Backbone interact. energy: -0.303
local terms energy: -82.675871
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -16.066
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -17.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -228.657043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.657043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.657043 (E_RNA)
where:
Base-Base interactions energy: -160.525
where: short stacking energy: -70.257
Base-Backbone interact. energy: 0.522
local terms energy: -68.653926
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -14.842
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -16.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -115.008559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.008559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.008559 (E_RNA)
where:
Base-Base interactions energy: -53.874
where: short stacking energy: -40.028
Base-Backbone interact. energy: -0.632
local terms energy: -60.502405
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -9.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -118.501943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.501943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.501943 (E_RNA)
where:
Base-Base interactions energy: -49.870
where: short stacking energy: -49.870
Base-Backbone interact. energy: -0.051
local terms energy: -68.580859
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -15.956
flat angles C4'-P-C4' energy: -13.907
flat angles P-C4'-P energy: -8.599
tors. eta vs tors. theta energy: -12.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -135.065022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.065022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.065022 (E_RNA)
where:
Base-Base interactions energy: -80.209
where: short stacking energy: -36.851
Base-Backbone interact. energy: -0.234
local terms energy: -54.622039
where:
bonds (distance) C4'-P energy: -11.835
bonds (distance) P-C4' energy: -13.337
flat angles C4'-P-C4' energy: -11.535
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -7.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -95.667553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.667553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.667553 (E_RNA)
where:
Base-Base interactions energy: -37.008
where: short stacking energy: -21.789
Base-Backbone interact. energy: 2.986
local terms energy: -61.645819
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -4.888
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: 7
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -88.889676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.889676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.889676 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -32.945
Base-Backbone interact. energy: -0.229
local terms energy: -53.727851
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -8.445
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -6.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -82.646595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.646595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.646595 (E_RNA)
where:
Base-Base interactions energy: -30.402
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.065
local terms energy: -52.179644
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -9.489
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -244.581715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.581715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.581715 (E_RNA)
where:
Base-Base interactions energy: -159.827
where: short stacking energy: -68.642
Base-Backbone interact. energy: -0.591
local terms energy: -84.163387
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -18.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -232.234154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.234154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.234154 (E_RNA)
where:
Base-Base interactions energy: -149.726
where: short stacking energy: -66.582
Base-Backbone interact. energy: -0.480
local terms energy: -82.028292
where:
bonds (distance) C4'-P energy: -16.260
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.559
flat angles P-C4'-P energy: -14.929
tors. eta vs tors. theta energy: -16.279
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: 2
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -237.908272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.908272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.908272 (E_RNA)
where:
Base-Base interactions energy: -158.056
where: short stacking energy: -78.927
Base-Backbone interact. energy: -0.235
local terms energy: -79.617016
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -13.316
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -10.073
tors. eta vs tors. theta energy: -22.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -218.631383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.631383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.631383 (E_RNA)
where:
Base-Base interactions energy: -148.333
where: short stacking energy: -59.834
Base-Backbone interact. energy: -1.236
local terms energy: -69.062417
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -13.110
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -10.846
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: 5
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -122.915623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.915623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.915623 (E_RNA)
where:
Base-Base interactions energy: -53.783
where: short stacking energy: -50.824
Base-Backbone interact. energy: -0.141
local terms energy: -68.991714
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -10.157
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: 6, replica: 8
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -114.877164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.877164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.877164 (E_RNA)
where:
Base-Base interactions energy: -52.271
where: short stacking energy: -43.792
Base-Backbone interact. energy: 0.115
local terms energy: -62.721307
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -11.204
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -7.827
tors. eta vs tors. theta energy: -11.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -91.983006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.983006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.983006 (E_RNA)
where:
Base-Base interactions energy: -33.041
where: short stacking energy: -33.017
Base-Backbone interact. energy: -0.079
local terms energy: -58.863616
where:
bonds (distance) C4'-P energy: -13.952
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -12.730
flat angles P-C4'-P energy: -12.977
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: 1
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -87.682577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682577 (E_RNA)
where:
Base-Base interactions energy: -31.743
where: short stacking energy: -22.055
Base-Backbone interact. energy: -2.883
local terms energy: -53.056599
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -16.557
flat angles C4'-P-C4' energy: -15.051
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: 3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -88.320871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.320871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.320871 (E_RNA)
where:
Base-Base interactions energy: -43.055
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.392
local terms energy: -44.873057
where:
bonds (distance) C4'-P energy: -7.952
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -2.883
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: 10, replica: 7
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -89.312085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.312085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.312085 (E_RNA)
where:
Base-Base interactions energy: -40.433
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.819
local terms energy: -48.060326
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -11.722
flat angles P-C4'-P energy: -6.757
tors. eta vs tors. theta energy: -1.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -246.805877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.805877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.805877 (E_RNA)
where:
Base-Base interactions energy: -165.641
where: short stacking energy: -61.778
Base-Backbone interact. energy: -0.546
local terms energy: -80.619004
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -15.593
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -17.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -238.269388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.269388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.269388 (E_RNA)
where:
Base-Base interactions energy: -166.484
where: short stacking energy: -68.742
Base-Backbone interact. energy: 0.099
local terms energy: -71.885188
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -11.154
tors. eta vs tors. theta energy: -15.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -234.513475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.513475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.513475 (E_RNA)
where:
Base-Base interactions energy: -161.461
where: short stacking energy: -69.960
Base-Backbone interact. energy: -0.208
local terms energy: -72.844118
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -11.220
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -216.091963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.091963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.091963 (E_RNA)
where:
Base-Base interactions energy: -147.789
where: short stacking energy: -58.321
Base-Backbone interact. energy: -0.946
local terms energy: -67.357726
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -14.399
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -118.196295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.196295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.196295 (E_RNA)
where:
Base-Base interactions energy: -42.864
where: short stacking energy: -41.766
Base-Backbone interact. energy: -0.061
local terms energy: -75.271678
where:
bonds (distance) C4'-P energy: -17.682
bonds (distance) P-C4' energy: -17.431
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -10.642
tors. eta vs tors. theta energy: -16.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -115.020008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.020008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.020008 (E_RNA)
where:
Base-Base interactions energy: -44.814
where: short stacking energy: -44.814
Base-Backbone interact. energy: -0.099
local terms energy: -70.107345
where:
bonds (distance) C4'-P energy: -17.172
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -8.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -106.546078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.546078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.546078 (E_RNA)
where:
Base-Base interactions energy: -48.127
where: short stacking energy: -38.213
Base-Backbone interact. energy: -0.310
local terms energy: -58.109147
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -13.861
flat angles C4'-P-C4' energy: -12.850
flat angles P-C4'-P energy: -10.693
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: 8, replica: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -89.899181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.899181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.899181 (E_RNA)
where:
Base-Base interactions energy: -36.693
where: short stacking energy: -34.334
Base-Backbone interact. energy: -0.194
local terms energy: -53.012305
where:
bonds (distance) C4'-P energy: -12.883
bonds (distance) P-C4' energy: -15.072
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -9.011
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -82.257382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.257382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.257382 (E_RNA)
where:
Base-Base interactions energy: -26.199
where: short stacking energy: -24.477
Base-Backbone interact. energy: -0.666
local terms energy: -55.393044
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -4.786
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: 7
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -86.529084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.529084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.529084 (E_RNA)
where:
Base-Base interactions energy: -41.984
where: short stacking energy: -25.780
Base-Backbone interact. energy: -0.156
local terms energy: -44.388860
where:
bonds (distance) C4'-P energy: -8.879
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -8.200
tors. eta vs tors. theta energy: 3.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -248.297989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.297989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.297989 (E_RNA)
where:
Base-Base interactions energy: -162.488
where: short stacking energy: -67.691
Base-Backbone interact. energy: 0.062
local terms energy: -85.872408
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -17.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -246.440452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.440452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.440452 (E_RNA)
where:
Base-Base interactions energy: -167.012
where: short stacking energy: -79.796
Base-Backbone interact. energy: -1.103
local terms energy: -78.325451
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -14.209
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -11.707
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -235.752209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.752209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.752209 (E_RNA)
where:
Base-Base interactions energy: -161.265
where: short stacking energy: -66.540
Base-Backbone interact. energy: 1.109
local terms energy: -75.597008
where:
bonds (distance) C4'-P energy: -15.381
bonds (distance) P-C4' energy: -12.410
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -17.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -220.585532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.585532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.585532 (E_RNA)
where:
Base-Base interactions energy: -154.645
where: short stacking energy: -59.566
Base-Backbone interact. energy: -0.461
local terms energy: -65.479793
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -11.388
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -6.957
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: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -132.722842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.722842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.722842 (E_RNA)
where:
Base-Base interactions energy: -60.944
where: short stacking energy: -55.794
Base-Backbone interact. energy: -0.402
local terms energy: -71.376616
where:
bonds (distance) C4'-P energy: -11.053
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -10.738
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: 6, replica: 3
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -106.840610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.840610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.840610 (E_RNA)
where:
Base-Base interactions energy: -42.434
where: short stacking energy: -40.449
Base-Backbone interact. energy: -0.097
local terms energy: -64.310008
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -19.934
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -3.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -98.926997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.926997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.926997 (E_RNA)
where:
Base-Base interactions energy: -38.952
where: short stacking energy: -29.927
Base-Backbone interact. energy: -0.354
local terms energy: -59.620457
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -16.347
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -89.364843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.364843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.364843 (E_RNA)
where:
Base-Base interactions energy: -41.622
where: short stacking energy: -36.424
Base-Backbone interact. energy: 0.471
local terms energy: -48.213787
where:
bonds (distance) C4'-P energy: -9.791
bonds (distance) P-C4' energy: -12.295
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -2.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -86.433404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.433404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.433404 (E_RNA)
where:
Base-Base interactions energy: -38.803
where: short stacking energy: -24.453
Base-Backbone interact. energy: -1.006
local terms energy: -46.625155
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.307
flat angles C4'-P-C4' energy: -9.884
flat angles P-C4'-P energy: -2.278
tors. eta vs tors. theta energy: -1.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -77.938357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.938357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.938357 (E_RNA)
where:
Base-Base interactions energy: -27.496
where: short stacking energy: -22.456
Base-Backbone interact. energy: -0.354
local terms energy: -50.088777
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: 0.983
tors. eta vs tors. theta energy: 0.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -256.996252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.996252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.996252 (E_RNA)
where:
Base-Base interactions energy: -179.161
where: short stacking energy: -76.483
Base-Backbone interact. energy: -0.133
local terms energy: -77.702932
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -15.495
flat angles P-C4'-P energy: -12.778
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: 2, replica: 4
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -236.475892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.475892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.475892 (E_RNA)
where:
Base-Base interactions energy: -160.331
where: short stacking energy: -73.303
Base-Backbone interact. energy: 2.774
local terms energy: -78.918820
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -19.740
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -15.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -230.412839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.412839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.412839 (E_RNA)
where:
Base-Base interactions energy: -144.545
where: short stacking energy: -71.287
Base-Backbone interact. energy: -0.363
local terms energy: -85.504872
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -22.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -216.849063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.849063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.849063 (E_RNA)
where:
Base-Base interactions energy: -152.284
where: short stacking energy: -56.459
Base-Backbone interact. energy: -0.350
local terms energy: -64.215221
where:
bonds (distance) C4'-P energy: -14.411
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -11.677
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -12.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -111.686953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.686953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.686953 (E_RNA)
where:
Base-Base interactions energy: -50.424
where: short stacking energy: -46.162
Base-Backbone interact. energy: -0.168
local terms energy: -61.095022
where:
bonds (distance) C4'-P energy: -14.532
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -15.122
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -5.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -151.275133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.275133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.275133 (E_RNA)
where:
Base-Base interactions energy: -84.095
where: short stacking energy: -47.039
Base-Backbone interact. energy: -0.106
local terms energy: -67.074360
where:
bonds (distance) C4'-P energy: -14.899
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -9.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -89.669409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.669409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.669409 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -38.584
Base-Backbone interact. energy: 1.637
local terms energy: -51.911363
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -6.961
flat angles C4'-P-C4' energy: -11.446
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -98.231368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.231368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.231368 (E_RNA)
where:
Base-Base interactions energy: -41.938
where: short stacking energy: -39.309
Base-Backbone interact. energy: -0.091
local terms energy: -56.202395
where:
bonds (distance) C4'-P energy: -15.288
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -12.781
flat angles P-C4'-P energy: -3.915
tors. eta vs tors. theta energy: -7.435
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: 9, replica: 8
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -87.634059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.634059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.634059 (E_RNA)
where:
Base-Base interactions energy: -31.957
where: short stacking energy: -31.957
Base-Backbone interact. energy: 1.501
local terms energy: -57.177628
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -13.155
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -5.786
tors. eta vs tors. theta energy: -3.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -82.967037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.967037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.967037 (E_RNA)
where:
Base-Base interactions energy: -32.984
where: short stacking energy: -32.984
Base-Backbone interact. energy: -0.083
local terms energy: -49.900162
where:
bonds (distance) C4'-P energy: -10.352
bonds (distance) P-C4' energy: -16.575
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -8.313
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: 1, replica: 4
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -240.928234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.928234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.928234 (E_RNA)
where:
Base-Base interactions energy: -171.592
where: short stacking energy: -65.444
Base-Backbone interact. energy: -0.651
local terms energy: -68.685174
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -12.309
flat angles P-C4'-P energy: -10.111
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: 2, replica: 2
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -253.487047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.487047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.487047 (E_RNA)
where:
Base-Base interactions energy: -171.624
where: short stacking energy: -76.134
Base-Backbone interact. energy: -0.059
local terms energy: -81.803327
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -10.335
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: 3, replica: 6
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -237.984757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.984757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.984757 (E_RNA)
where:
Base-Base interactions energy: -156.717
where: short stacking energy: -65.830
Base-Backbone interact. energy: -1.713
local terms energy: -79.554388
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -16.245
flat angles P-C4'-P energy: -15.136
tors. eta vs tors. theta energy: -20.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -225.027989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.027989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.027989 (E_RNA)
where:
Base-Base interactions energy: -149.093
where: short stacking energy: -61.524
Base-Backbone interact. energy: -0.633
local terms energy: -75.301463
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -12.456
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: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -180.367604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.367604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.367604 (E_RNA)
where:
Base-Base interactions energy: -113.938
where: short stacking energy: -65.673
Base-Backbone interact. energy: -0.172
local terms energy: -66.257441
where:
bonds (distance) C4'-P energy: -12.153
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -13.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -112.237595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.237595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.237595 (E_RNA)
where:
Base-Base interactions energy: -52.569
where: short stacking energy: -44.727
Base-Backbone interact. energy: -0.162
local terms energy: -59.507484
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -13.720
flat angles P-C4'-P energy: -10.193
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: 7, replica: 7
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -95.704445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.704445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.704445 (E_RNA)
where:
Base-Base interactions energy: -36.688
where: short stacking energy: -29.844
Base-Backbone interact. energy: -0.194
local terms energy: -58.822347
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -2.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -89.693301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.693301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.693301 (E_RNA)
where:
Base-Base interactions energy: -30.153
where: short stacking energy: -24.488
Base-Backbone interact. energy: -1.294
local terms energy: -58.247000
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -16.465
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: 0.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -89.411501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.411501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.411501 (E_RNA)
where:
Base-Base interactions energy: -37.463
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.007
local terms energy: -51.940980
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -11.601
flat angles C4'-P-C4' energy: -14.013
flat angles P-C4'-P energy: -6.398
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -75.787190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.787190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.787190 (E_RNA)
where:
Base-Base interactions energy: -25.815
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.128
local terms energy: -49.843925
where:
bonds (distance) C4'-P energy: -12.746
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.195
flat angles P-C4'-P energy: -8.432
tors. eta vs tors. theta energy: 3.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -242.588639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.588639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.588639 (E_RNA)
where:
Base-Base interactions energy: -166.377
where: short stacking energy: -62.779
Base-Backbone interact. energy: -0.947
local terms energy: -75.264671
where:
bonds (distance) C4'-P energy: -15.846
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -13.306
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -18.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -242.377885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.377885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.377885 (E_RNA)
where:
Base-Base interactions energy: -168.738
where: short stacking energy: -75.228
Base-Backbone interact. energy: -0.454
local terms energy: -73.186149
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -9.269
tors. eta vs tors. theta energy: -18.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -241.835581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.835581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.835581 (E_RNA)
where:
Base-Base interactions energy: -166.071
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.320
local terms energy: -75.444768
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: -18.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -224.725744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.725744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.725744 (E_RNA)
where:
Base-Base interactions energy: -152.016
where: short stacking energy: -61.605
Base-Backbone interact. energy: -1.292
local terms energy: -71.418225
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -156.831737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.831737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.831737 (E_RNA)
where:
Base-Base interactions energy: -90.518
where: short stacking energy: -53.443
Base-Backbone interact. energy: -0.097
local terms energy: -66.216948
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -12.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -107.104420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.104420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.104420 (E_RNA)
where:
Base-Base interactions energy: -43.446
where: short stacking energy: -32.112
Base-Backbone interact. energy: -1.386
local terms energy: -62.272122
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -16.090
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -109.240882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.240882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.240882 (E_RNA)
where:
Base-Base interactions energy: -60.029
where: short stacking energy: -33.371
Base-Backbone interact. energy: -0.101
local terms energy: -49.111064
where:
bonds (distance) C4'-P energy: -10.320
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -15.539
flat angles P-C4'-P energy: -2.315
tors. eta vs tors. theta energy: -6.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -108.664756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.664756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.664756 (E_RNA)
where:
Base-Base interactions energy: -50.684
where: short stacking energy: -36.068
Base-Backbone interact. energy: -0.053
local terms energy: -57.927548
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -8.784
tors. eta vs tors. theta energy: -2.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -97.175222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.175222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.175222 (E_RNA)
where:
Base-Base interactions energy: -40.226
where: short stacking energy: -37.252
Base-Backbone interact. energy: -0.167
local terms energy: -56.782391
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -9.254
flat angles P-C4'-P energy: -7.356
tors. eta vs tors. theta energy: -11.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -81.709737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.709737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.709737 (E_RNA)
where:
Base-Base interactions energy: -27.438
where: short stacking energy: -22.848
Base-Backbone interact. energy: -1.548
local terms energy: -52.724133
where:
bonds (distance) C4'-P energy: -8.669
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -1.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -236.721699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.721699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.721699 (E_RNA)
where:
Base-Base interactions energy: -154.882
where: short stacking energy: -57.609
Base-Backbone interact. energy: -0.383
local terms energy: -81.456583
where:
bonds (distance) C4'-P energy: -16.343
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -20.236
flat angles P-C4'-P energy: -14.796
tors. eta vs tors. theta energy: -11.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -238.585349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.585349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.585349 (E_RNA)
where:
Base-Base interactions energy: -162.714
where: short stacking energy: -73.101
Base-Backbone interact. energy: -0.362
local terms energy: -75.509133
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -17.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -228.206314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.206314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.206314 (E_RNA)
where:
Base-Base interactions energy: -157.792
where: short stacking energy: -67.784
Base-Backbone interact. energy: -0.356
local terms energy: -70.058707
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -14.495
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -13.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -241.689651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.689651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.689651 (E_RNA)
where:
Base-Base interactions energy: -171.507
where: short stacking energy: -69.654
Base-Backbone interact. energy: -0.345
local terms energy: -69.836854
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -7.405
tors. eta vs tors. theta energy: -17.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -137.775450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.775450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.775450 (E_RNA)
where:
Base-Base interactions energy: -75.450
where: short stacking energy: -41.485
Base-Backbone interact. energy: -0.114
local terms energy: -62.211908
where:
bonds (distance) C4'-P energy: -13.810
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -10.451
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: 6, replica: 7
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -166.135490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.135490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.135490 (E_RNA)
where:
Base-Base interactions energy: -103.913
where: short stacking energy: -52.222
Base-Backbone interact. energy: -0.881
local terms energy: -61.341719
where:
bonds (distance) C4'-P energy: -12.795
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -11.670
flat angles P-C4'-P energy: -11.092
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -98.479218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.479218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.479218 (E_RNA)
where:
Base-Base interactions energy: -37.204
where: short stacking energy: -31.581
Base-Backbone interact. energy: -0.190
local terms energy: -61.085497
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -17.492
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -4.563
tors. eta vs tors. theta energy: -3.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -99.144080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.144080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.144080 (E_RNA)
where:
Base-Base interactions energy: -43.185
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.208
local terms energy: -55.750992
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -19.771
flat angles C4'-P-C4' energy: -11.145
flat angles P-C4'-P energy: -5.792
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -90.462360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.462360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.462360 (E_RNA)
where:
Base-Base interactions energy: -29.536
where: short stacking energy: -29.536
Base-Backbone interact. energy: -0.251
local terms energy: -60.675539
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -16.552
flat angles P-C4'-P energy: -13.549
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: 3
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -80.631846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.631846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.631846 (E_RNA)
where:
Base-Base interactions energy: -25.909
where: short stacking energy: -24.492
Base-Backbone interact. energy: -0.245
local terms energy: -54.478154
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.435
flat angles C4'-P-C4' energy: -15.640
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: 0.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -246.246396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.246396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.246396 (E_RNA)
where:
Base-Base interactions energy: -164.919
where: short stacking energy: -71.456
Base-Backbone interact. energy: -1.024
local terms energy: -80.303270
where:
bonds (distance) C4'-P energy: -12.862
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -18.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -235.462730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.462730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.462730 (E_RNA)
where:
Base-Base interactions energy: -154.845
where: short stacking energy: -55.323
Base-Backbone interact. energy: -1.413
local terms energy: -79.204737
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -13.516
flat angles P-C4'-P energy: -15.044
tors. eta vs tors. theta energy: -21.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -224.972994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.972994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.972994 (E_RNA)
where:
Base-Base interactions energy: -158.943
where: short stacking energy: -59.943
Base-Backbone interact. energy: -0.535
local terms energy: -65.495691
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -8.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -238.955113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.955113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.955113 (E_RNA)
where:
Base-Base interactions energy: -161.588
where: short stacking energy: -69.121
Base-Backbone interact. energy: -0.135
local terms energy: -77.232494
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.766
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -18.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -182.194040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.194040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.194040 (E_RNA)
where:
Base-Base interactions energy: -107.197
where: short stacking energy: -69.549
Base-Backbone interact. energy: -0.029
local terms energy: -74.968127
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -9.594
tors. eta vs tors. theta energy: -16.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -170.551715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.551715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.551715 (E_RNA)
where:
Base-Base interactions energy: -107.888
where: short stacking energy: -50.580
Base-Backbone interact. energy: -0.246
local terms energy: -62.416956
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -13.967
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -8.012
tors. eta vs tors. theta energy: -12.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -94.073611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.073611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.073611 (E_RNA)
where:
Base-Base interactions energy: -38.219
where: short stacking energy: -23.933
Base-Backbone interact. energy: -4.050
local terms energy: -51.803782
where:
bonds (distance) C4'-P energy: -8.275
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -10.815
tors. eta vs tors. theta energy: -0.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -109.565842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.565842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.565842 (E_RNA)
where:
Base-Base interactions energy: -47.236
where: short stacking energy: -42.142
Base-Backbone interact. energy: -0.054
local terms energy: -62.276024
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -14.360
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -91.070600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.070600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.070600 (E_RNA)
where:
Base-Base interactions energy: -42.186
where: short stacking energy: -42.186
Base-Backbone interact. energy: -0.249
local terms energy: -48.634797
where:
bonds (distance) C4'-P energy: -9.583
bonds (distance) P-C4' energy: -11.410
flat angles C4'-P-C4' energy: -9.009
flat angles P-C4'-P energy: -8.153
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: 10, replica: 3
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -78.152917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.152917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.152917 (E_RNA)
where:
Base-Base interactions energy: -30.413
where: short stacking energy: -18.679
Base-Backbone interact. energy: 0.937
local terms energy: -48.677474
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -17.038
flat angles C4'-P-C4' energy: -11.162
flat angles P-C4'-P energy: -6.140
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: 4
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -251.215275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.215275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.215275 (E_RNA)
where:
Base-Base interactions energy: -169.172
where: short stacking energy: -73.862
Base-Backbone interact. energy: 0.885
local terms energy: -82.928862
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -18.899
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: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -244.264486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.264486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.264486 (E_RNA)
where:
Base-Base interactions energy: -163.889
where: short stacking energy: -69.700
Base-Backbone interact. energy: -0.300
local terms energy: -80.074997
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -10.593
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: 3, replica: 2
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -246.477227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.477227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.477227 (E_RNA)
where:
Base-Base interactions energy: -169.159
where: short stacking energy: -68.659
Base-Backbone interact. energy: 0.037
local terms energy: -77.354983
where:
bonds (distance) C4'-P energy: -16.107
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -18.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -223.989140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.989140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.989140 (E_RNA)
where:
Base-Base interactions energy: -160.784
where: short stacking energy: -63.335
Base-Backbone interact. energy: 0.626
local terms energy: -63.831607
where:
bonds (distance) C4'-P energy: -7.177
bonds (distance) P-C4' energy: -12.556
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -13.151
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: 10
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -172.842882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.842882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.842882 (E_RNA)
where:
Base-Base interactions energy: -107.114
where: short stacking energy: -54.291
Base-Backbone interact. energy: -0.304
local terms energy: -65.425716
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -12.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -172.821259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.821259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.821259 (E_RNA)
where:
Base-Base interactions energy: -99.691
where: short stacking energy: -59.992
Base-Backbone interact. energy: -0.648
local terms energy: -72.481912
where:
bonds (distance) C4'-P energy: -12.754
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: -15.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -102.344892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.344892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.344892 (E_RNA)
where:
Base-Base interactions energy: -41.535
where: short stacking energy: -40.984
Base-Backbone interact. energy: -0.893
local terms energy: -59.916649
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -14.340
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -7.136
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -93.412369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.412369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.412369 (E_RNA)
where:
Base-Base interactions energy: -42.801
where: short stacking energy: -33.958
Base-Backbone interact. energy: -0.253
local terms energy: -50.358613
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -13.002
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -8.620
tors. eta vs tors. theta energy: -1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -91.441596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.441596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.441596 (E_RNA)
where:
Base-Base interactions energy: -34.139
where: short stacking energy: -25.808
Base-Backbone interact. energy: -0.133
local terms energy: -57.169948
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -87.740646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.740646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.740646 (E_RNA)
where:
Base-Base interactions energy: -32.096
where: short stacking energy: -32.053
Base-Backbone interact. energy: -0.260
local terms energy: -55.384719
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -10.206
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -5.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -254.396289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.396289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.396289 (E_RNA)
where:
Base-Base interactions energy: -172.677
where: short stacking energy: -64.207
Base-Backbone interact. energy: 0.444
local terms energy: -82.162982
where:
bonds (distance) C4'-P energy: -15.421
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -15.813
tors. eta vs tors. theta energy: -15.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -253.683660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.683660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.683660 (E_RNA)
where:
Base-Base interactions energy: -181.796
where: short stacking energy: -67.015
Base-Backbone interact. energy: -0.213
local terms energy: -71.674006
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -10.676
tors. eta vs tors. theta energy: -14.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -241.599453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.599453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.599453 (E_RNA)
where:
Base-Base interactions energy: -172.301
where: short stacking energy: -57.906
Base-Backbone interact. energy: -0.889
local terms energy: -68.409961
where:
bonds (distance) C4'-P energy: -7.468
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -234.903596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.903596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.903596 (E_RNA)
where:
Base-Base interactions energy: -160.073
where: short stacking energy: -62.313
Base-Backbone interact. energy: 1.299
local terms energy: -76.130002
where:
bonds (distance) C4'-P energy: -16.281
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -11.320
tors. eta vs tors. theta energy: -14.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -171.960486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.960486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.960486 (E_RNA)
where:
Base-Base interactions energy: -94.948
where: short stacking energy: -56.752
Base-Backbone interact. energy: -0.082
local terms energy: -76.930614
where:
bonds (distance) C4'-P energy: -17.229
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -15.321
flat angles P-C4'-P energy: -12.331
tors. eta vs tors. theta energy: -15.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -165.135580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.135580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.135580 (E_RNA)
where:
Base-Base interactions energy: -101.607
where: short stacking energy: -49.735
Base-Backbone interact. energy: 1.372
local terms energy: -64.900757
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -14.178
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -8.737
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: 7, replica: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -100.709470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.709470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.709470 (E_RNA)
where:
Base-Base interactions energy: -42.322
where: short stacking energy: -34.272
Base-Backbone interact. energy: -0.177
local terms energy: -58.210438
where:
bonds (distance) C4'-P energy: -10.883
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -15.335
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -5.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -84.479337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.479337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.479337 (E_RNA)
where:
Base-Base interactions energy: -29.124
where: short stacking energy: -27.480
Base-Backbone interact. energy: -0.421
local terms energy: -54.934250
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -3.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -94.180896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.180896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.180896 (E_RNA)
where:
Base-Base interactions energy: -31.576
where: short stacking energy: -30.143
Base-Backbone interact. energy: -0.777
local terms energy: -61.827644
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -10.466
flat angles P-C4'-P energy: -13.966
tors. eta vs tors. theta energy: -3.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -88.024197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.024197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.024197 (E_RNA)
where:
Base-Base interactions energy: -44.313
where: short stacking energy: -28.843
Base-Backbone interact. energy: -0.344
local terms energy: -43.367158
where:
bonds (distance) C4'-P energy: -12.052
bonds (distance) P-C4' energy: -14.063
flat angles C4'-P-C4' energy: -11.210
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: 0.674
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: 4
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -262.503337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.503337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.503337 (E_RNA)
where:
Base-Base interactions energy: -184.505
where: short stacking energy: -75.711
Base-Backbone interact. energy: -0.106
local terms energy: -77.893167
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -15.255
tors. eta vs tors. theta energy: -18.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -254.715546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.715546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.715546 (E_RNA)
where:
Base-Base interactions energy: -178.433
where: short stacking energy: -71.760
Base-Backbone interact. energy: -0.590
local terms energy: -75.691957
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -9.756
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -231.235901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.235901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.235901 (E_RNA)
where:
Base-Base interactions energy: -163.576
where: short stacking energy: -58.728
Base-Backbone interact. energy: -0.080
local terms energy: -67.579312
where:
bonds (distance) C4'-P energy: -13.051
bonds (distance) P-C4' energy: -13.224
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -9.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -243.892708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.892708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.892708 (E_RNA)
where:
Base-Base interactions energy: -169.418
where: short stacking energy: -66.131
Base-Backbone interact. energy: -1.147
local terms energy: -73.327411
where:
bonds (distance) C4'-P energy: -12.718
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -15.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -161.306728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.306728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.306728 (E_RNA)
where:
Base-Base interactions energy: -94.039
where: short stacking energy: -45.827
Base-Backbone interact. energy: 0.137
local terms energy: -67.404369
where:
bonds (distance) C4'-P energy: -15.291
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -12.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -172.467921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.467921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.467921 (E_RNA)
where:
Base-Base interactions energy: -97.341
where: short stacking energy: -49.265
Base-Backbone interact. energy: -0.149
local terms energy: -74.978367
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -14.851
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -10.911
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: 7, replica: 5
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -89.695452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.695452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.695452 (E_RNA)
where:
Base-Base interactions energy: -39.903
where: short stacking energy: -37.806
Base-Backbone interact. energy: -0.214
local terms energy: -49.578061
where:
bonds (distance) C4'-P energy: -9.717
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -7.846
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -98.945021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.945021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.945021 (E_RNA)
where:
Base-Base interactions energy: -37.481
where: short stacking energy: -33.048
Base-Backbone interact. energy: -0.121
local terms energy: -61.343002
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -12.353
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -11.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -95.253964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.253964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.253964 (E_RNA)
where:
Base-Base interactions energy: -43.082
where: short stacking energy: -41.941
Base-Backbone interact. energy: -0.057
local terms energy: -52.115214
where:
bonds (distance) C4'-P energy: -11.054
bonds (distance) P-C4' energy: -11.565
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -10.257
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: 3
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -76.316766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.316766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.316766 (E_RNA)
where:
Base-Base interactions energy: -32.838
where: short stacking energy: -32.838
Base-Backbone interact. energy: -0.079
local terms energy: -43.399026
where:
bonds (distance) C4'-P energy: -6.955
bonds (distance) P-C4' energy: -13.376
flat angles C4'-P-C4' energy: -13.972
flat angles P-C4'-P energy: -5.559
tors. eta vs tors. theta energy: -3.536
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: 4
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -259.306594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.306594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.306594 (E_RNA)
where:
Base-Base interactions energy: -177.975
where: short stacking energy: -63.803
Base-Backbone interact. energy: -0.754
local terms energy: -80.577925
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -16.566
flat angles C4'-P-C4' energy: -17.560
flat angles P-C4'-P energy: -14.355
tors. eta vs tors. theta energy: -16.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -252.959530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.959530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.959530 (E_RNA)
where:
Base-Base interactions energy: -178.426
where: short stacking energy: -76.519
Base-Backbone interact. energy: -0.502
local terms energy: -74.032124
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -14.162
flat angles C4'-P-C4' energy: -14.129
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -18.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -239.359521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.359521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.359521 (E_RNA)
where:
Base-Base interactions energy: -164.046
where: short stacking energy: -57.506
Base-Backbone interact. energy: -0.134
local terms energy: -75.179884
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -6.907
tors. eta vs tors. theta energy: -15.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -232.095134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.095134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.095134 (E_RNA)
where:
Base-Base interactions energy: -157.852
where: short stacking energy: -69.363
Base-Backbone interact. energy: -0.470
local terms energy: -73.773740
where:
bonds (distance) C4'-P energy: -16.912
bonds (distance) P-C4' energy: -12.650
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.774
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: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -162.073142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.073142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.073142 (E_RNA)
where:
Base-Base interactions energy: -97.557
where: short stacking energy: -53.711
Base-Backbone interact. energy: -0.698
local terms energy: -63.817593
where:
bonds (distance) C4'-P energy: -14.014
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.230
tors. eta vs tors. theta energy: -12.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -103.583892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.583892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.583892 (E_RNA)
where:
Base-Base interactions energy: -45.508
where: short stacking energy: -27.722
Base-Backbone interact. energy: -0.685
local terms energy: -57.390800
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -12.805
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -117.972249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.972249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.972249 (E_RNA)
where:
Base-Base interactions energy: -61.777
where: short stacking energy: -39.177
Base-Backbone interact. energy: -2.230
local terms energy: -53.965239
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -4.705
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: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -86.399391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.399391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.399391 (E_RNA)
where:
Base-Base interactions energy: -30.312
where: short stacking energy: -30.312
Base-Backbone interact. energy: 0.569
local terms energy: -56.656482
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -11.926
flat angles C4'-P-C4' energy: -11.533
flat angles P-C4'-P energy: -6.926
tors. eta vs tors. theta energy: -8.049
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: 8
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -96.664539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.664539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.664539 (E_RNA)
where:
Base-Base interactions energy: -42.071
where: short stacking energy: -42.071
Base-Backbone interact. energy: -0.126
local terms energy: -54.467934
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -11.037
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.165
tors. eta vs tors. theta energy: -7.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -82.067417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.067417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.067417 (E_RNA)
where:
Base-Base interactions energy: -38.894
where: short stacking energy: -38.894
Base-Backbone interact. energy: -0.169
local terms energy: -43.005214
where:
bonds (distance) C4'-P energy: -6.969
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -11.354
flat angles P-C4'-P energy: -1.940
tors. eta vs tors. theta energy: -5.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -257.103986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.103986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.103986 (E_RNA)
where:
Base-Base interactions energy: -172.459
where: short stacking energy: -75.568
Base-Backbone interact. energy: -0.074
local terms energy: -84.570663
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -18.221
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -11.368
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: 2, replica: 4
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -255.643768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.643768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.643768 (E_RNA)
where:
Base-Base interactions energy: -177.513
where: short stacking energy: -68.864
Base-Backbone interact. energy: 0.051
local terms energy: -78.181619
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -16.759
flat angles C4'-P-C4' energy: -19.706
flat angles P-C4'-P energy: -6.530
tors. eta vs tors. theta energy: -18.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -222.130621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.130621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.130621 (E_RNA)
where:
Base-Base interactions energy: -156.050
where: short stacking energy: -55.846
Base-Backbone interact. energy: -0.501
local terms energy: -65.579105
where:
bonds (distance) C4'-P energy: -13.091
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -15.342
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: -9.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -223.604844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.604844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.604844 (E_RNA)
where:
Base-Base interactions energy: -151.834
where: short stacking energy: -58.705
Base-Backbone interact. energy: -0.067
local terms energy: -71.703980
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: -11.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -167.506178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.506178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.506178 (E_RNA)
where:
Base-Base interactions energy: -101.409
where: short stacking energy: -55.976
Base-Backbone interact. energy: -0.419
local terms energy: -65.677969
where:
bonds (distance) C4'-P energy: -14.142
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -14.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -111.541267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.541267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.541267 (E_RNA)
where:
Base-Base interactions energy: -51.294
where: short stacking energy: -45.525
Base-Backbone interact. energy: -0.103
local terms energy: -60.143909
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -8.610
tors. eta vs tors. theta energy: -7.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -111.306052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.306052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.306052 (E_RNA)
where:
Base-Base interactions energy: -55.198
where: short stacking energy: -35.157
Base-Backbone interact. energy: 0.139
local terms energy: -56.247490
where:
bonds (distance) C4'-P energy: -16.812
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -12.288
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -2.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -89.542650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.542650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.542650 (E_RNA)
where:
Base-Base interactions energy: -38.334
where: short stacking energy: -29.924
Base-Backbone interact. energy: -0.244
local terms energy: -50.963763
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -16.093
flat angles C4'-P-C4' energy: -9.896
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -0.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -87.797150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.797150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.797150 (E_RNA)
where:
Base-Base interactions energy: -36.577
where: short stacking energy: -30.542
Base-Backbone interact. energy: -0.874
local terms energy: -50.345687
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -11.014
flat angles P-C4'-P energy: -9.146
tors. eta vs tors. theta energy: -1.464
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: 438
Temperature: 1.350000
Total energy: -94.636185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.636185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.636185 (E_RNA)
where:
Base-Base interactions energy: -31.941
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.182
local terms energy: -62.513172
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -15.595
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -3.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -256.543985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.543985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.543985 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -76.434
Base-Backbone interact. energy: -0.357
local terms energy: -73.604031
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -15.062
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -11.053
tors. eta vs tors. theta energy: -14.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -239.728532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.728532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.728532 (E_RNA)
where:
Base-Base interactions energy: -170.804
where: short stacking energy: -59.230
Base-Backbone interact. energy: -0.293
local terms energy: -68.630851
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -11.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -243.461236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.461236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.461236 (E_RNA)
where:
Base-Base interactions energy: -167.519
where: short stacking energy: -58.429
Base-Backbone interact. energy: -0.640
local terms energy: -75.301864
where:
bonds (distance) C4'-P energy: -14.651
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -12.623
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -227.025046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.025046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.025046 (E_RNA)
where:
Base-Base interactions energy: -145.705
where: short stacking energy: -65.969
Base-Backbone interact. energy: -0.139
local terms energy: -81.181193
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -12.671
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -173.602666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.602666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.602666 (E_RNA)
where:
Base-Base interactions energy: -102.400
where: short stacking energy: -54.948
Base-Backbone interact. energy: -0.064
local terms energy: -71.138267
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -13.678
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -14.276
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: 1
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -105.849232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.849232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.849232 (E_RNA)
where:
Base-Base interactions energy: -48.607
where: short stacking energy: -47.151
Base-Backbone interact. energy: -0.038
local terms energy: -57.204292
where:
bonds (distance) C4'-P energy: -12.565
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -7.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -121.386557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.386557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.386557 (E_RNA)
where:
Base-Base interactions energy: -48.290
where: short stacking energy: -47.585
Base-Backbone interact. energy: -0.120
local terms energy: -72.976968
where:
bonds (distance) C4'-P energy: -13.239
bonds (distance) P-C4' energy: -16.171
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -13.128
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: 8, replica: 3
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -87.246593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.246593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.246593 (E_RNA)
where:
Base-Base interactions energy: -34.799
where: short stacking energy: -28.998
Base-Backbone interact. energy: -0.303
local terms energy: -52.144117
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -12.520
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -7.724
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: 7
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -84.923447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.923447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.923447 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -27.198
Base-Backbone interact. energy: -0.337
local terms energy: -57.389270
where:
bonds (distance) C4'-P energy: -14.679
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -10.255
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -3.213
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: 439
Temperature: 1.350000
Total energy: -76.628835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.628835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.628835 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -20.664
Base-Backbone interact. energy: -0.261
local terms energy: -44.145193
where:
bonds (distance) C4'-P energy: -12.643
bonds (distance) P-C4' energy: -13.513
flat angles C4'-P-C4' energy: -12.631
flat angles P-C4'-P energy: -7.140
tors. eta vs tors. theta energy: 1.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -240.138792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.138792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.138792 (E_RNA)
where:
Base-Base interactions energy: -162.735
where: short stacking energy: -67.742
Base-Backbone interact. energy: -1.319
local terms energy: -76.084779
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -8.310
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: 2, replica: 2
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -257.832806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.832806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.832806 (E_RNA)
where:
Base-Base interactions energy: -178.255
where: short stacking energy: -73.178
Base-Backbone interact. energy: 2.446
local terms energy: -82.023821
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -14.103
flat angles C4'-P-C4' energy: -19.638
flat angles P-C4'-P energy: -10.945
tors. eta vs tors. theta energy: -19.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -246.540581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.540581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.540581 (E_RNA)
where:
Base-Base interactions energy: -169.250
where: short stacking energy: -73.347
Base-Backbone interact. energy: -0.420
local terms energy: -76.870737
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.140
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -20.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -231.545627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.545627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.545627 (E_RNA)
where:
Base-Base interactions energy: -157.817
where: short stacking energy: -72.313
Base-Backbone interact. energy: -0.821
local terms energy: -72.907336
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -13.271
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -157.370728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.370728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.370728 (E_RNA)
where:
Base-Base interactions energy: -91.859
where: short stacking energy: -55.230
Base-Backbone interact. energy: -0.165
local terms energy: -65.346707
where:
bonds (distance) C4'-P energy: -15.478
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -7.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -104.291144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.291144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.291144 (E_RNA)
where:
Base-Base interactions energy: -44.280
where: short stacking energy: -40.765
Base-Backbone interact. energy: -0.098
local terms energy: -59.912675
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -11.681
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -10.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -100.745962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.745962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.745962 (E_RNA)
where:
Base-Base interactions energy: -44.253
where: short stacking energy: -32.403
Base-Backbone interact. energy: -0.522
local terms energy: -55.971092
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -0.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -96.932156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.932156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.932156 (E_RNA)
where:
Base-Base interactions energy: -41.341
where: short stacking energy: -38.746
Base-Backbone interact. energy: -1.065
local terms energy: -54.526342
where:
bonds (distance) C4'-P energy: -13.138
bonds (distance) P-C4' energy: -13.419
flat angles C4'-P-C4' energy: -15.864
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -87.910758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.910758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.910758 (E_RNA)
where:
Base-Base interactions energy: -33.387
where: short stacking energy: -33.387
Base-Backbone interact. energy: 0.034
local terms energy: -54.557266
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -13.010
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -1.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -88.841332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.841332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.841332 (E_RNA)
where:
Base-Base interactions energy: -24.906
where: short stacking energy: -24.906
Base-Backbone interact. energy: -0.103
local terms energy: -63.832345
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -7.533
tors. eta vs tors. theta energy: -8.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -235.216499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.216499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.216499 (E_RNA)
where:
Base-Base interactions energy: -168.784
where: short stacking energy: -59.530
Base-Backbone interact. energy: -0.094
local terms energy: -66.338027
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -15.911
flat angles P-C4'-P energy: -8.978
tors. eta vs tors. theta energy: -10.073
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: 4
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -249.816334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.816334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.816334 (E_RNA)
where:
Base-Base interactions energy: -167.767
where: short stacking energy: -73.916
Base-Backbone interact. energy: -0.959
local terms energy: -81.090200
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -19.705
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -18.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -251.784663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.784663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.784663 (E_RNA)
where:
Base-Base interactions energy: -173.875
where: short stacking energy: -78.105
Base-Backbone interact. energy: -0.144
local terms energy: -77.765242
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -14.235
flat angles C4'-P-C4' energy: -15.645
flat angles P-C4'-P energy: -12.370
tors. eta vs tors. theta energy: -19.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -225.883639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.883639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.883639 (E_RNA)
where:
Base-Base interactions energy: -160.269
where: short stacking energy: -59.294
Base-Backbone interact. energy: -0.067
local terms energy: -65.547909
where:
bonds (distance) C4'-P energy: -11.272
bonds (distance) P-C4' energy: -14.799
flat angles C4'-P-C4' energy: -17.174
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -9.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -171.701189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.701189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.701189 (E_RNA)
where:
Base-Base interactions energy: -99.936
where: short stacking energy: -56.177
Base-Backbone interact. energy: -0.038
local terms energy: -71.727388
where:
bonds (distance) C4'-P energy: -13.595
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -14.243
flat angles P-C4'-P energy: -12.346
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: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -118.018775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.018775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.018775 (E_RNA)
where:
Base-Base interactions energy: -52.220
where: short stacking energy: -51.980
Base-Backbone interact. energy: -0.056
local terms energy: -65.742530
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -16.904
flat angles P-C4'-P energy: -5.897
tors. eta vs tors. theta energy: -11.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -110.158808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.158808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.158808 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -37.832
Base-Backbone interact. energy: -0.975
local terms energy: -62.490250
where:
bonds (distance) C4'-P energy: -11.859
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -8.892
tors. eta vs tors. theta energy: -5.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -90.074541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.074541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.074541 (E_RNA)
where:
Base-Base interactions energy: -29.930
where: short stacking energy: -22.888
Base-Backbone interact. energy: -0.056
local terms energy: -60.088032
where:
bonds (distance) C4'-P energy: -14.853
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -15.223
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -92.810372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.810372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.810372 (E_RNA)
where:
Base-Base interactions energy: -36.154
where: short stacking energy: -37.254
Base-Backbone interact. energy: -0.100
local terms energy: -56.556080
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -15.985
flat angles C4'-P-C4' energy: -10.457
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -2.783
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: 8
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -78.222349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.222349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.222349 (E_RNA)
where:
Base-Base interactions energy: -21.838
where: short stacking energy: -20.880
Base-Backbone interact. energy: -0.106
local terms energy: -56.278758
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.076
flat angles C4'-P-C4' energy: -13.316
flat angles P-C4'-P energy: -7.413
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: 4
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -252.751591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.751591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.751591 (E_RNA)
where:
Base-Base interactions energy: -177.143
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.176
local terms energy: -75.432645
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -16.285
flat angles P-C4'-P energy: -10.402
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: 2, replica: 9
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -245.412232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.412232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.412232 (E_RNA)
where:
Base-Base interactions energy: -167.119
where: short stacking energy: -69.140
Base-Backbone interact. energy: -0.333
local terms energy: -77.959859
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -16.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -243.549299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.549299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.549299 (E_RNA)
where:
Base-Base interactions energy: -167.541
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.584
local terms energy: -75.424773
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -10.021
tors. eta vs tors. theta energy: -14.837
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: 2
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -233.834696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.834696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.834696 (E_RNA)
where:
Base-Base interactions energy: -155.019
where: short stacking energy: -69.306
Base-Backbone interact. energy: -0.454
local terms energy: -78.361965
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -13.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -179.674103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.674103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.674103 (E_RNA)
where:
Base-Base interactions energy: -108.045
where: short stacking energy: -58.776
Base-Backbone interact. energy: -0.016
local terms energy: -71.612484
where:
bonds (distance) C4'-P energy: -10.022
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -9.059
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: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -99.115763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.115763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.115763 (E_RNA)
where:
Base-Base interactions energy: -37.669
where: short stacking energy: -34.968
Base-Backbone interact. energy: -0.092
local terms energy: -61.355055
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -10.719
tors. eta vs tors. theta energy: -6.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -102.123271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.123271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.123271 (E_RNA)
where:
Base-Base interactions energy: -39.258
where: short stacking energy: -39.258
Base-Backbone interact. energy: -0.208
local terms energy: -62.656925
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -13.652
flat angles C4'-P-C4' energy: -12.536
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -6.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -93.301031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.301031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.301031 (E_RNA)
where:
Base-Base interactions energy: -34.787
where: short stacking energy: -23.413
Base-Backbone interact. energy: -0.183
local terms energy: -58.331097
where:
bonds (distance) C4'-P energy: -14.427
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -16.135
flat angles P-C4'-P energy: -9.683
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: 9, replica: 8
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -94.923811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.923811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.923811 (E_RNA)
where:
Base-Base interactions energy: -35.967
where: short stacking energy: -23.779
Base-Backbone interact. energy: -0.113
local terms energy: -58.843635
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -16.858
flat angles C4'-P-C4' energy: -16.007
flat angles P-C4'-P energy: -8.744
tors. eta vs tors. theta energy: -1.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -102.472134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.472134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.472134 (E_RNA)
where:
Base-Base interactions energy: -43.876
where: short stacking energy: -42.541
Base-Backbone interact. energy: -0.018
local terms energy: -58.577844
where:
bonds (distance) C4'-P energy: -14.580
bonds (distance) P-C4' energy: -14.641
flat angles C4'-P-C4' energy: -13.435
flat angles P-C4'-P energy: -6.939
tors. eta vs tors. theta energy: -8.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -252.595923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.595923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.595923 (E_RNA)
where:
Base-Base interactions energy: -173.465
where: short stacking energy: -74.916
Base-Backbone interact. energy: -0.054
local terms energy: -79.076680
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -18.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -242.240630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.240630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.240630 (E_RNA)
where:
Base-Base interactions energy: -163.478
where: short stacking energy: -63.059
Base-Backbone interact. energy: -0.613
local terms energy: -78.149613
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -15.349
tors. eta vs tors. theta energy: -12.151
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: 443
Temperature: 1.000000
Total energy: -246.371770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.371770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.371770 (E_RNA)
where:
Base-Base interactions energy: -171.428
where: short stacking energy: -64.337
Base-Backbone interact. energy: 1.394
local terms energy: -76.337811
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -16.988
flat angles P-C4'-P energy: -12.604
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: 4, replica: 2
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -229.919792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.919792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.919792 (E_RNA)
where:
Base-Base interactions energy: -155.444
where: short stacking energy: -65.583
Base-Backbone interact. energy: -0.241
local terms energy: -74.234108
where:
bonds (distance) C4'-P energy: -18.203
bonds (distance) P-C4' energy: -18.545
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -15.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -159.109219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.109219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.109219 (E_RNA)
where:
Base-Base interactions energy: -106.297
where: short stacking energy: -49.560
Base-Backbone interact. energy: -0.153
local terms energy: -52.659333
where:
bonds (distance) C4'-P energy: -8.948
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -6.335
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -92.811490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.811490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.811490 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -32.000
Base-Backbone interact. energy: 0.425
local terms energy: -53.121250
where:
bonds (distance) C4'-P energy: -11.064
bonds (distance) P-C4' energy: -13.863
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -1.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -116.939307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.939307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.939307 (E_RNA)
where:
Base-Base interactions energy: -52.561
where: short stacking energy: -30.833
Base-Backbone interact. energy: -0.064
local terms energy: -64.314615
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -17.269
flat angles C4'-P-C4' energy: -12.344
flat angles P-C4'-P energy: -8.726
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: 8, replica: 3
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -93.835363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.835363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.835363 (E_RNA)
where:
Base-Base interactions energy: -34.244
where: short stacking energy: -34.244
Base-Backbone interact. energy: -0.218
local terms energy: -59.373417
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -12.838
flat angles P-C4'-P energy: -8.624
tors. eta vs tors. theta energy: -6.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -85.801830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.801830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.801830 (E_RNA)
where:
Base-Base interactions energy: -35.373
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.365
local terms energy: -50.063148
where:
bonds (distance) C4'-P energy: -18.889
bonds (distance) P-C4' energy: -1.998
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.534
tors. eta vs tors. theta energy: -5.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -95.339844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.339844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.339844 (E_RNA)
where:
Base-Base interactions energy: -47.593
where: short stacking energy: -45.818
Base-Backbone interact. energy: -0.297
local terms energy: -47.450159
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -14.636
flat angles C4'-P-C4' energy: -11.158
flat angles P-C4'-P energy: -7.527
tors. eta vs tors. theta energy: -6.300
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: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -248.809465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.809465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.809465 (E_RNA)
where:
Base-Base interactions energy: -171.934
where: short stacking energy: -67.398
Base-Backbone interact. energy: -0.683
local terms energy: -76.191949
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -10.250
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: 2, replica: 9
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -247.200955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.200955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.200955 (E_RNA)
where:
Base-Base interactions energy: -170.806
where: short stacking energy: -66.296
Base-Backbone interact. energy: -0.388
local terms energy: -76.006533
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -16.886
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -15.492
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: 2
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -233.191875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.191875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.191875 (E_RNA)
where:
Base-Base interactions energy: -158.375
where: short stacking energy: -67.314
Base-Backbone interact. energy: -0.484
local terms energy: -74.333041
where:
bonds (distance) C4'-P energy: -14.246
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -14.706
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -17.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -240.525878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.525878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.525878 (E_RNA)
where:
Base-Base interactions energy: -166.544
where: short stacking energy: -63.338
Base-Backbone interact. energy: -0.980
local terms energy: -73.001938
where:
bonds (distance) C4'-P energy: -14.627
bonds (distance) P-C4' energy: -15.122
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -16.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -170.468753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.468753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.468753 (E_RNA)
where:
Base-Base interactions energy: -98.882
where: short stacking energy: -52.714
Base-Backbone interact. energy: -0.121
local terms energy: -71.465705
where:
bonds (distance) C4'-P energy: -14.804
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -12.928
tors. eta vs tors. theta energy: -10.932
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: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -108.550500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.550500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.550500 (E_RNA)
where:
Base-Base interactions energy: -47.535
where: short stacking energy: -41.666
Base-Backbone interact. energy: -0.165
local terms energy: -60.850794
where:
bonds (distance) C4'-P energy: -13.963
bonds (distance) P-C4' energy: -14.479
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -8.967
tors. eta vs tors. theta energy: -6.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -99.138458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.138458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.138458 (E_RNA)
where:
Base-Base interactions energy: -42.083
where: short stacking energy: -37.710
Base-Backbone interact. energy: -0.076
local terms energy: -56.979218
where:
bonds (distance) C4'-P energy: -13.677
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -9.536
flat angles P-C4'-P energy: -8.333
tors. eta vs tors. theta energy: -8.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -89.030676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.030676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.030676 (E_RNA)
where:
Base-Base interactions energy: -32.615
where: short stacking energy: -31.223
Base-Backbone interact. energy: -0.233
local terms energy: -56.183427
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -10.619
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: 444
Temperature: 1.300000
Total energy: -81.522886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.522886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.522886 (E_RNA)
where:
Base-Base interactions energy: -33.374
where: short stacking energy: -33.049
Base-Backbone interact. energy: -0.140
local terms energy: -48.008491
where:
bonds (distance) C4'-P energy: -8.189
bonds (distance) P-C4' energy: -11.661
flat angles C4'-P-C4' energy: -10.920
flat angles P-C4'-P energy: -10.827
tors. eta vs tors. theta energy: -6.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -84.183228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183228 (E_RNA)
where:
Base-Base interactions energy: -33.894
where: short stacking energy: -33.437
Base-Backbone interact. energy: -0.011
local terms energy: -50.278322
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -11.144
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -7.914
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -253.212663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.212663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.212663 (E_RNA)
where:
Base-Base interactions energy: -171.094
where: short stacking energy: -71.505
Base-Backbone interact. energy: -0.239
local terms energy: -81.879513
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -10.426
tors. eta vs tors. theta energy: -18.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -246.849346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.849346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.849346 (E_RNA)
where:
Base-Base interactions energy: -171.648
where: short stacking energy: -71.031
Base-Backbone interact. energy: 0.271
local terms energy: -75.471926
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -7.910
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: 3, replica: 9
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -232.288150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.288150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.288150 (E_RNA)
where:
Base-Base interactions energy: -158.534
where: short stacking energy: -63.654
Base-Backbone interact. energy: -0.395
local terms energy: -73.358689
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -11.922
flat angles C4'-P-C4' energy: -17.406
flat angles P-C4'-P energy: -8.936
tors. eta vs tors. theta energy: -18.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -251.412474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.412474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.412474 (E_RNA)
where:
Base-Base interactions energy: -174.822
where: short stacking energy: -65.946
Base-Backbone interact. energy: -0.312
local terms energy: -76.278303
where:
bonds (distance) C4'-P energy: -17.516
bonds (distance) P-C4' energy: -12.698
flat angles C4'-P-C4' energy: -14.966
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -20.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -196.733317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.733317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.733317 (E_RNA)
where:
Base-Base interactions energy: -125.211
where: short stacking energy: -62.073
Base-Backbone interact. energy: -0.107
local terms energy: -71.415651
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -19.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -107.223576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.223576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.223576 (E_RNA)
where:
Base-Base interactions energy: -45.685
where: short stacking energy: -37.126
Base-Backbone interact. energy: 1.030
local terms energy: -62.568506
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -8.301
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -98.867052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.867052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.867052 (E_RNA)
where:
Base-Base interactions energy: -44.856
where: short stacking energy: -44.650
Base-Backbone interact. energy: -0.111
local terms energy: -53.900298
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -0.860
tors. eta vs tors. theta energy: -9.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -106.408960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.408960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.408960 (E_RNA)
where:
Base-Base interactions energy: -47.726
where: short stacking energy: -37.558
Base-Backbone interact. energy: -0.164
local terms energy: -58.518376
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -15.853
flat angles C4'-P-C4' energy: -13.437
flat angles P-C4'-P energy: -8.252
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: 9, replica: 1
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -95.996006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.996006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.996006 (E_RNA)
where:
Base-Base interactions energy: -39.224
where: short stacking energy: -29.794
Base-Backbone interact. energy: -0.146
local terms energy: -56.625531
where:
bonds (distance) C4'-P energy: -15.934
bonds (distance) P-C4' energy: -16.995
flat angles C4'-P-C4' energy: -13.742
flat angles P-C4'-P energy: -8.759
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -82.482772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.482772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.482772 (E_RNA)
where:
Base-Base interactions energy: -29.158
where: short stacking energy: -22.486
Base-Backbone interact. energy: -0.229
local terms energy: -53.096594
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -13.601
flat angles P-C4'-P energy: -8.527
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -255.831641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.831641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.831641 (E_RNA)
where:
Base-Base interactions energy: -179.020
where: short stacking energy: -70.319
Base-Backbone interact. energy: 1.991
local terms energy: -78.802126
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -10.340
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: 2, replica: 2
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -248.402280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.402280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.402280 (E_RNA)
where:
Base-Base interactions energy: -168.923
where: short stacking energy: -62.867
Base-Backbone interact. energy: -0.849
local terms energy: -78.630848
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -15.527
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -10.927
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: 3, replica: 6
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -245.303181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.303181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.303181 (E_RNA)
where:
Base-Base interactions energy: -168.236
where: short stacking energy: -66.900
Base-Backbone interact. energy: -0.927
local terms energy: -76.140120
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -12.406
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -17.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -223.595005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.595005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.595005 (E_RNA)
where:
Base-Base interactions energy: -151.041
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.330
local terms energy: -72.223914
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -9.942
tors. eta vs tors. theta energy: -18.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -193.854145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.854145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.854145 (E_RNA)
where:
Base-Base interactions energy: -129.648
where: short stacking energy: -51.835
Base-Backbone interact. energy: -0.382
local terms energy: -63.823597
where:
bonds (distance) C4'-P energy: -8.155
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -10.329
tors. eta vs tors. theta energy: -12.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -122.629664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.629664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.629664 (E_RNA)
where:
Base-Base interactions energy: -60.072
where: short stacking energy: -45.857
Base-Backbone interact. energy: -0.108
local terms energy: -62.449584
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -13.520
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -7.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -98.785836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.785836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.785836 (E_RNA)
where:
Base-Base interactions energy: -43.560
where: short stacking energy: -34.361
Base-Backbone interact. energy: -0.291
local terms energy: -54.934824
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -6.065
tors. eta vs tors. theta energy: -3.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -89.809881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.809881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.809881 (E_RNA)
where:
Base-Base interactions energy: -38.097
where: short stacking energy: -31.373
Base-Backbone interact. energy: 1.307
local terms energy: -53.020705
where:
bonds (distance) C4'-P energy: -11.928
bonds (distance) P-C4' energy: -18.547
flat angles C4'-P-C4' energy: -9.062
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: -6.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -88.002997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.002997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.002997 (E_RNA)
where:
Base-Base interactions energy: -32.173
where: short stacking energy: -22.462
Base-Backbone interact. energy: -0.486
local terms energy: -55.344093
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -14.786
flat angles C4'-P-C4' energy: -11.409
flat angles P-C4'-P energy: -9.188
tors. eta vs tors. theta energy: -6.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -82.013289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.013289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.013289 (E_RNA)
where:
Base-Base interactions energy: -24.805
where: short stacking energy: -14.043
Base-Backbone interact. energy: -0.150
local terms energy: -57.058194
where:
bonds (distance) C4'-P energy: -17.975
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: 2.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -249.814663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.814663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.814663 (E_RNA)
where:
Base-Base interactions energy: -171.756
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.331
local terms energy: -77.727330
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.994
flat angles P-C4'-P energy: -11.463
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: 6
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -243.991871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.991871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.991871 (E_RNA)
where:
Base-Base interactions energy: -164.821
where: short stacking energy: -68.166
Base-Backbone interact. energy: -0.143
local terms energy: -79.027713
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.005
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -12.829
tors. eta vs tors. theta energy: -16.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -250.694667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.694667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.694667 (E_RNA)
where:
Base-Base interactions energy: -168.979
where: short stacking energy: -74.036
Base-Backbone interact. energy: -0.086
local terms energy: -81.629382
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -17.159
flat angles P-C4'-P energy: -12.414
tors. eta vs tors. theta energy: -20.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -218.305055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.305055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.305055 (E_RNA)
where:
Base-Base interactions energy: -141.095
where: short stacking energy: -64.015
Base-Backbone interact. energy: -1.043
local terms energy: -76.166605
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -17.914
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.323
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -224.017048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.017048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.017048 (E_RNA)
where:
Base-Base interactions energy: -149.463
where: short stacking energy: -63.514
Base-Backbone interact. energy: -0.282
local terms energy: -74.272087
where:
bonds (distance) C4'-P energy: -10.995
bonds (distance) P-C4' energy: -16.583
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -16.154
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: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -124.013054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.013054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.013054 (E_RNA)
where:
Base-Base interactions energy: -53.609
where: short stacking energy: -38.802
Base-Backbone interact. energy: -0.096
local terms energy: -70.308389
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.719
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -8.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -93.953283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.953283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.953283 (E_RNA)
where:
Base-Base interactions energy: -38.274
where: short stacking energy: -20.632
Base-Backbone interact. energy: -0.469
local terms energy: -55.209932
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -17.105
flat angles P-C4'-P energy: -6.177
tors. eta vs tors. theta energy: 1.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -99.652713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.652713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.652713 (E_RNA)
where:
Base-Base interactions energy: -41.780
where: short stacking energy: -23.290
Base-Backbone interact. energy: -0.956
local terms energy: -56.916572
where:
bonds (distance) C4'-P energy: -17.705
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -7.567
tors. eta vs tors. theta energy: -2.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -89.019767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.019767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.019767 (E_RNA)
where:
Base-Base interactions energy: -33.304
where: short stacking energy: -27.276
Base-Backbone interact. energy: 0.005
local terms energy: -55.721230
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -10.037
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -94.251690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.251690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.251690 (E_RNA)
where:
Base-Base interactions energy: -40.717
where: short stacking energy: -34.088
Base-Backbone interact. energy: -0.068
local terms energy: -53.465880
where:
bonds (distance) C4'-P energy: -11.745
bonds (distance) P-C4' energy: -18.680
flat angles C4'-P-C4' energy: -11.318
flat angles P-C4'-P energy: -7.592
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: 1, replica: 6
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -253.568153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.568153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.568153 (E_RNA)
where:
Base-Base interactions energy: -172.356
where: short stacking energy: -73.784
Base-Backbone interact. energy: -0.222
local terms energy: -80.989631
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -13.658
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -17.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -250.289209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.289209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.289209 (E_RNA)
where:
Base-Base interactions energy: -173.291
where: short stacking energy: -71.945
Base-Backbone interact. energy: -0.967
local terms energy: -76.032002
where:
bonds (distance) C4'-P energy: -14.506
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -15.464
flat angles P-C4'-P energy: -8.690
tors. eta vs tors. theta energy: -17.364
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: 2
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -250.554349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.554349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.554349 (E_RNA)
where:
Base-Base interactions energy: -178.687
where: short stacking energy: -75.138
Base-Backbone interact. energy: -0.251
local terms energy: -71.616233
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -7.758
tors. eta vs tors. theta energy: -16.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -214.105753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.105753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.105753 (E_RNA)
where:
Base-Base interactions energy: -140.605
where: short stacking energy: -61.338
Base-Backbone interact. energy: 0.024
local terms energy: -73.524899
where:
bonds (distance) C4'-P energy: -12.957
bonds (distance) P-C4' energy: -16.163
flat angles C4'-P-C4' energy: -10.316
flat angles P-C4'-P energy: -14.145
tors. eta vs tors. theta energy: -19.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -228.133996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.133996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.133996 (E_RNA)
where:
Base-Base interactions energy: -151.282
where: short stacking energy: -68.938
Base-Backbone interact. energy: -1.419
local terms energy: -75.432774
where:
bonds (distance) C4'-P energy: -12.422
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -18.740
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -110.934464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.934464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.934464 (E_RNA)
where:
Base-Base interactions energy: -54.176
where: short stacking energy: -34.991
Base-Backbone interact. energy: -0.194
local terms energy: -56.564712
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -15.187
flat angles C4'-P-C4' energy: -13.839
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -104.396201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.396201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.396201 (E_RNA)
where:
Base-Base interactions energy: -53.332
where: short stacking energy: -37.492
Base-Backbone interact. energy: 0.108
local terms energy: -51.171642
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -6.622
flat angles P-C4'-P energy: -8.709
tors. eta vs tors. theta energy: -4.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -88.188738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.188738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.188738 (E_RNA)
where:
Base-Base interactions energy: -40.784
where: short stacking energy: -29.963
Base-Backbone interact. energy: -0.836
local terms energy: -46.568557
where:
bonds (distance) C4'-P energy: -12.763
bonds (distance) P-C4' energy: -9.512
flat angles C4'-P-C4' energy: -11.587
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -81.953487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.953487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.953487 (E_RNA)
where:
Base-Base interactions energy: -34.549
where: short stacking energy: -34.549
Base-Backbone interact. energy: -0.133
local terms energy: -47.271116
where:
bonds (distance) C4'-P energy: -6.419
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -8.660
tors. eta vs tors. theta energy: -4.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -82.335552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.335552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.335552 (E_RNA)
where:
Base-Base interactions energy: -35.763
where: short stacking energy: -28.921
Base-Backbone interact. energy: -1.488
local terms energy: -45.084717
where:
bonds (distance) C4'-P energy: -11.801
bonds (distance) P-C4' energy: -11.227
flat angles C4'-P-C4' energy: -10.347
flat angles P-C4'-P energy: -6.898
tors. eta vs tors. theta energy: -4.812
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: 1, replica: 6
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -248.198601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.198601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.198601 (E_RNA)
where:
Base-Base interactions energy: -172.115
where: short stacking energy: -69.125
Base-Backbone interact. energy: 0.585
local terms energy: -76.668370
where:
bonds (distance) C4'-P energy: -12.614
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -19.202
flat angles P-C4'-P energy: -11.823
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: 2, replica: 2
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -256.221719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.221719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.221719 (E_RNA)
where:
Base-Base interactions energy: -184.646
where: short stacking energy: -76.702
Base-Backbone interact. energy: -0.231
local terms energy: -71.344790
where:
bonds (distance) C4'-P energy: -13.011
bonds (distance) P-C4' energy: -14.143
flat angles C4'-P-C4' energy: -18.279
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -15.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -247.102678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.102678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.102678 (E_RNA)
where:
Base-Base interactions energy: -173.861
where: short stacking energy: -70.749
Base-Backbone interact. energy: -0.441
local terms energy: -72.800432
where:
bonds (distance) C4'-P energy: -12.678
bonds (distance) P-C4' energy: -14.812
flat angles C4'-P-C4' energy: -17.241
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -233.480790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.480790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.480790 (E_RNA)
where:
Base-Base interactions energy: -157.358
where: short stacking energy: -71.330
Base-Backbone interact. energy: -1.074
local terms energy: -75.048536
where:
bonds (distance) C4'-P energy: -14.777
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -15.415
flat angles P-C4'-P energy: -7.841
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: 5, replica: 10
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -215.834605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.834605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.834605 (E_RNA)
where:
Base-Base interactions energy: -148.384
where: short stacking energy: -64.322
Base-Backbone interact. energy: -0.433
local terms energy: -67.017207
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -6.049
tors. eta vs tors. theta energy: -13.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -127.213289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.213289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.213289 (E_RNA)
where:
Base-Base interactions energy: -63.394
where: short stacking energy: -58.267
Base-Backbone interact. energy: -0.045
local terms energy: -63.773883
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.129
flat angles P-C4'-P energy: -7.711
tors. eta vs tors. theta energy: -14.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -92.715326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.715326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.715326 (E_RNA)
where:
Base-Base interactions energy: -37.269
where: short stacking energy: -30.982
Base-Backbone interact. energy: -0.869
local terms energy: -54.577030
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -2.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -87.323355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.323355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.323355 (E_RNA)
where:
Base-Base interactions energy: -33.683
where: short stacking energy: -33.683
Base-Backbone interact. energy: -0.248
local terms energy: -53.392119
where:
bonds (distance) C4'-P energy: -14.782
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -6.311
tors. eta vs tors. theta energy: -2.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -86.482081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.482081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.482081 (E_RNA)
where:
Base-Base interactions energy: -31.900
where: short stacking energy: -31.890
Base-Backbone interact. energy: -0.171
local terms energy: -54.410932
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -13.381
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -2.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -79.722277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.722277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.722277 (E_RNA)
where:
Base-Base interactions energy: -24.888
where: short stacking energy: -21.245
Base-Backbone interact. energy: -0.197
local terms energy: -54.638210
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -15.152
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -12.332
tors. eta vs tors. theta energy: 4.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -258.354223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.354223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.354223 (E_RNA)
where:
Base-Base interactions energy: -180.021
where: short stacking energy: -70.238
Base-Backbone interact. energy: -0.175
local terms energy: -78.158558
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -17.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -253.232835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.232835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.232835 (E_RNA)
where:
Base-Base interactions energy: -166.163
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.172
local terms energy: -86.898193
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -12.828
tors. eta vs tors. theta energy: -20.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -237.151594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.151594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.151594 (E_RNA)
where:
Base-Base interactions energy: -157.325
where: short stacking energy: -70.111
Base-Backbone interact. energy: -0.260
local terms energy: -79.566619
where:
bonds (distance) C4'-P energy: -10.023
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -241.678530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.678530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.678530 (E_RNA)
where:
Base-Base interactions energy: -161.431
where: short stacking energy: -68.616
Base-Backbone interact. energy: -0.380
local terms energy: -79.867261
where:
bonds (distance) C4'-P energy: -17.068
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -18.025
flat angles P-C4'-P energy: -9.541
tors. eta vs tors. theta energy: -17.480
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: 10
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -206.342138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.342138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.342138 (E_RNA)
where:
Base-Base interactions energy: -132.870
where: short stacking energy: -67.630
Base-Backbone interact. energy: -0.119
local terms energy: -73.352439
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -11.393
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: 6, replica: 8
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -97.725525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.725525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.725525 (E_RNA)
where:
Base-Base interactions energy: -41.731
where: short stacking energy: -37.744
Base-Backbone interact. energy: -0.219
local terms energy: -55.775590
where:
bonds (distance) C4'-P energy: -10.291
bonds (distance) P-C4' energy: -16.909
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -9.225
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -91.514930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.514930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.514930 (E_RNA)
where:
Base-Base interactions energy: -32.637
where: short stacking energy: -28.207
Base-Backbone interact. energy: -0.549
local terms energy: -58.328458
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -18.799
flat angles C4'-P-C4' energy: -10.412
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: -6.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -94.747257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.747257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.747257 (E_RNA)
where:
Base-Base interactions energy: -35.970
where: short stacking energy: -35.970
Base-Backbone interact. energy: -0.019
local terms energy: -58.757699
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -15.416
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -1.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -87.124251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.124251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.124251 (E_RNA)
where:
Base-Base interactions energy: -27.551
where: short stacking energy: -27.551
Base-Backbone interact. energy: -0.103
local terms energy: -59.470385
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -84.835831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.835831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.835831 (E_RNA)
where:
Base-Base interactions energy: -33.461
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.019
local terms energy: -51.356280
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -9.379
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -1.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -263.774690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.774690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.774690 (E_RNA)
where:
Base-Base interactions energy: -180.104
where: short stacking energy: -68.820
Base-Backbone interact. energy: 0.346
local terms energy: -84.016539
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -17.136
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -12.442
tors. eta vs tors. theta energy: -17.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -257.005858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.005858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.005858 (E_RNA)
where:
Base-Base interactions energy: -176.270
where: short stacking energy: -63.682
Base-Backbone interact. energy: 0.726
local terms energy: -81.461622
where:
bonds (distance) C4'-P energy: -15.586
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -11.196
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -226.193324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.193324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.193324 (E_RNA)
where:
Base-Base interactions energy: -155.924
where: short stacking energy: -63.630
Base-Backbone interact. energy: -0.695
local terms energy: -69.574039
where:
bonds (distance) C4'-P energy: -8.444
bonds (distance) P-C4' energy: -11.086
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -237.047985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.047985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.047985 (E_RNA)
where:
Base-Base interactions energy: -161.796
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.022
local terms energy: -75.230437
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -13.815
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -162.470434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.470434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.470434 (E_RNA)
where:
Base-Base interactions energy: -94.718
where: short stacking energy: -52.560
Base-Backbone interact. energy: 0.344
local terms energy: -68.096775
where:
bonds (distance) C4'-P energy: -11.800
bonds (distance) P-C4' energy: -20.899
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -13.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -106.724649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.724649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.724649 (E_RNA)
where:
Base-Base interactions energy: -51.869
where: short stacking energy: -30.195
Base-Backbone interact. energy: -0.155
local terms energy: -54.700357
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -8.909
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -112.390638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.390638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.390638 (E_RNA)
where:
Base-Base interactions energy: -53.521
where: short stacking energy: -51.674
Base-Backbone interact. energy: -0.376
local terms energy: -58.493377
where:
bonds (distance) C4'-P energy: -16.079
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -9.575
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -9.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -126.297522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.297522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.297522 (E_RNA)
where:
Base-Base interactions energy: -70.075
where: short stacking energy: -41.252
Base-Backbone interact. energy: -0.211
local terms energy: -56.011439
where:
bonds (distance) C4'-P energy: -12.265
bonds (distance) P-C4' energy: -13.798
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -10.330
tors. eta vs tors. theta energy: -4.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -98.539694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.539694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.539694 (E_RNA)
where:
Base-Base interactions energy: -42.191
where: short stacking energy: -42.191
Base-Backbone interact. energy: -0.124
local terms energy: -56.224550
where:
bonds (distance) C4'-P energy: -13.868
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -11.424
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -6.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -81.571775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.571775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.571775 (E_RNA)
where:
Base-Base interactions energy: -23.917
where: short stacking energy: -19.181
Base-Backbone interact. energy: -0.251
local terms energy: -57.403868
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -17.577
flat angles C4'-P-C4' energy: -11.685
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -1.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -254.165259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.165259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.165259 (E_RNA)
where:
Base-Base interactions energy: -165.075
where: short stacking energy: -65.612
Base-Backbone interact. energy: -0.058
local terms energy: -89.031539
where:
bonds (distance) C4'-P energy: -19.735
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -20.720
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -17.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -253.252215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.252215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.252215 (E_RNA)
where:
Base-Base interactions energy: -174.726
where: short stacking energy: -75.739
Base-Backbone interact. energy: -0.153
local terms energy: -78.372780
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -11.749
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: 4
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -234.980905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.980905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.980905 (E_RNA)
where:
Base-Base interactions energy: -155.400
where: short stacking energy: -70.110
Base-Backbone interact. energy: -0.360
local terms energy: -79.220083
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -12.317
flat angles C4'-P-C4' energy: -16.195
flat angles P-C4'-P energy: -14.183
tors. eta vs tors. theta energy: -20.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -230.501660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.501660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.501660 (E_RNA)
where:
Base-Base interactions energy: -155.045
where: short stacking energy: -58.485
Base-Backbone interact. energy: -0.240
local terms energy: -75.216804
where:
bonds (distance) C4'-P energy: -16.576
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -13.705
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -16.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -176.149487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.149487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.149487 (E_RNA)
where:
Base-Base interactions energy: -103.321
where: short stacking energy: -66.968
Base-Backbone interact. energy: -0.231
local terms energy: -72.597370
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -14.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -97.698375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.698375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.698375 (E_RNA)
where:
Base-Base interactions energy: -39.811
where: short stacking energy: -13.416
Base-Backbone interact. energy: -0.842
local terms energy: -57.045213
where:
bonds (distance) C4'-P energy: -15.976
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: 1.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -135.117221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.117221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.117221 (E_RNA)
where:
Base-Base interactions energy: -68.549
where: short stacking energy: -38.955
Base-Backbone interact. energy: -0.334
local terms energy: -66.233839
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -5.091
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: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -93.550915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.550915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.550915 (E_RNA)
where:
Base-Base interactions energy: -39.700
where: short stacking energy: -25.490
Base-Backbone interact. energy: -0.319
local terms energy: -53.532709
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -13.443
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -11.353
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: 3
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -86.683248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.683248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.683248 (E_RNA)
where:
Base-Base interactions energy: -31.190
where: short stacking energy: -31.190
Base-Backbone interact. energy: -0.057
local terms energy: -55.435763
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -13.461
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -6.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -85.932698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.932698 (E_RNA)
where:
Base-Base interactions energy: -29.393
where: short stacking energy: -29.393
Base-Backbone interact. energy: -0.111
local terms energy: -56.428734
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -10.359
flat angles C4'-P-C4' energy: -10.468
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -8.923
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: 6
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -259.912245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.912245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.912245 (E_RNA)
where:
Base-Base interactions energy: -188.031
where: short stacking energy: -75.613
Base-Backbone interact. energy: 0.903
local terms energy: -72.784999
where:
bonds (distance) C4'-P energy: -14.588
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -10.746
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: 2
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -244.951453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.951453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.951453 (E_RNA)
where:
Base-Base interactions energy: -167.316
where: short stacking energy: -67.697
Base-Backbone interact. energy: 0.336
local terms energy: -77.972053
where:
bonds (distance) C4'-P energy: -16.124
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -19.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -233.072494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.072494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.072494 (E_RNA)
where:
Base-Base interactions energy: -154.485
where: short stacking energy: -77.646
Base-Backbone interact. energy: -0.287
local terms energy: -78.300227
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -11.810
tors. eta vs tors. theta energy: -20.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -232.274796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.274796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.274796 (E_RNA)
where:
Base-Base interactions energy: -155.635
where: short stacking energy: -73.510
Base-Backbone interact. energy: -0.687
local terms energy: -75.953291
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -17.088
flat angles C4'-P-C4' energy: -15.384
flat angles P-C4'-P energy: -10.581
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -170.791800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.791800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.791800 (E_RNA)
where:
Base-Base interactions energy: -100.200
where: short stacking energy: -54.974
Base-Backbone interact. energy: -0.217
local terms energy: -70.374699
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -14.475
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -12.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -154.441103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.441103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.441103 (E_RNA)
where:
Base-Base interactions energy: -87.183
where: short stacking energy: -48.534
Base-Backbone interact. energy: -0.314
local terms energy: -66.944071
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -18.478
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -11.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -99.758600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.758600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.758600 (E_RNA)
where:
Base-Base interactions energy: -44.370
where: short stacking energy: -40.076
Base-Backbone interact. energy: -0.251
local terms energy: -55.138132
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -9.576
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -9.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -109.071864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.071864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.071864 (E_RNA)
where:
Base-Base interactions energy: -50.049
where: short stacking energy: -50.049
Base-Backbone interact. energy: -0.104
local terms energy: -58.918784
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -12.709
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -2.707
tors. eta vs tors. theta energy: -12.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -85.002441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.002441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.002441 (E_RNA)
where:
Base-Base interactions energy: -31.511
where: short stacking energy: -31.511
Base-Backbone interact. energy: -0.228
local terms energy: -53.263543
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -11.068
flat angles C4'-P-C4' energy: -14.425
flat angles P-C4'-P energy: -11.098
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: 10, replica: 7
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -85.774202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.774202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.774202 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -32.558
Base-Backbone interact. energy: 0.919
local terms energy: -49.896136
where:
bonds (distance) C4'-P energy: -12.171
bonds (distance) P-C4' energy: -12.604
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -10.561
tors. eta vs tors. theta energy: -3.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -251.480461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.480461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.480461 (E_RNA)
where:
Base-Base interactions energy: -165.731
where: short stacking energy: -62.785
Base-Backbone interact. energy: -0.201
local terms energy: -85.548203
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -17.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -239.064083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.064083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.064083 (E_RNA)
where:
Base-Base interactions energy: -167.714
where: short stacking energy: -70.166
Base-Backbone interact. energy: 0.407
local terms energy: -71.757743
where:
bonds (distance) C4'-P energy: -16.066
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -10.220
flat angles P-C4'-P energy: -8.467
tors. eta vs tors. theta energy: -18.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -232.474347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.474347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.474347 (E_RNA)
where:
Base-Base interactions energy: -163.387
where: short stacking energy: -64.773
Base-Backbone interact. energy: -0.536
local terms energy: -68.550824
where:
bonds (distance) C4'-P energy: -13.946
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -13.550
flat angles P-C4'-P energy: -7.707
tors. eta vs tors. theta energy: -19.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -221.984226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.984226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.984226 (E_RNA)
where:
Base-Base interactions energy: -144.686
where: short stacking energy: -68.457
Base-Backbone interact. energy: -0.498
local terms energy: -76.800052
where:
bonds (distance) C4'-P energy: -13.028
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -19.363
flat angles P-C4'-P energy: -9.202
tors. eta vs tors. theta energy: -19.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -152.069804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.069804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.069804 (E_RNA)
where:
Base-Base interactions energy: -86.233
where: short stacking energy: -49.709
Base-Backbone interact. energy: -0.162
local terms energy: -65.674668
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -5.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -147.015153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.015153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.015153 (E_RNA)
where:
Base-Base interactions energy: -86.902
where: short stacking energy: -43.742
Base-Backbone interact. energy: -0.241
local terms energy: -59.872801
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -16.689
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -6.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -88.485757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.485757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.485757 (E_RNA)
where:
Base-Base interactions energy: -31.886
where: short stacking energy: -24.006
Base-Backbone interact. energy: -0.113
local terms energy: -56.486710
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -9.957
tors. eta vs tors. theta energy: 2.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -97.193474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.193474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.193474 (E_RNA)
where:
Base-Base interactions energy: -40.687
where: short stacking energy: -25.821
Base-Backbone interact. energy: -0.335
local terms energy: -56.171170
where:
bonds (distance) C4'-P energy: -16.907
bonds (distance) P-C4' energy: -12.389
flat angles C4'-P-C4' energy: -13.587
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: 0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -90.278173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.278173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.278173 (E_RNA)
where:
Base-Base interactions energy: -44.046
where: short stacking energy: -38.794
Base-Backbone interact. energy: -0.398
local terms energy: -45.833617
where:
bonds (distance) C4'-P energy: -6.217
bonds (distance) P-C4' energy: -11.614
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -5.025
tors. eta vs tors. theta energy: -7.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -85.384439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.384439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.384439 (E_RNA)
where:
Base-Base interactions energy: -33.617
where: short stacking energy: -20.693
Base-Backbone interact. energy: 0.232
local terms energy: -51.999124
where:
bonds (distance) C4'-P energy: -11.182
bonds (distance) P-C4' energy: -16.234
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -9.278
tors. eta vs tors. theta energy: -0.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -255.559457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.559457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.559457 (E_RNA)
where:
Base-Base interactions energy: -177.889
where: short stacking energy: -69.593
Base-Backbone interact. energy: 0.993
local terms energy: -78.663403
where:
bonds (distance) C4'-P energy: -17.370
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -8.333
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: 2, replica: 6
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -249.269475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.269475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.269475 (E_RNA)
where:
Base-Base interactions energy: -166.375
where: short stacking energy: -74.340
Base-Backbone interact. energy: -0.545
local terms energy: -82.349081
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -14.662
tors. eta vs tors. theta energy: -19.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -240.209635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.209635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.209635 (E_RNA)
where:
Base-Base interactions energy: -156.213
where: short stacking energy: -55.811
Base-Backbone interact. energy: -1.687
local terms energy: -82.309377
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.745
flat angles C4'-P-C4' energy: -16.084
flat angles P-C4'-P energy: -11.141
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: 4, replica: 4
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -224.842859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.842859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.842859 (E_RNA)
where:
Base-Base interactions energy: -152.432
where: short stacking energy: -70.836
Base-Backbone interact. energy: 0.362
local terms energy: -72.773404
where:
bonds (distance) C4'-P energy: -14.832
bonds (distance) P-C4' energy: -11.135
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -160.335298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.335298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.335298 (E_RNA)
where:
Base-Base interactions energy: -91.775
where: short stacking energy: -50.098
Base-Backbone interact. energy: -1.259
local terms energy: -67.301133
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -17.376
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -10.994
tors. eta vs tors. theta energy: -10.614
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: 10
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -156.918143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.918143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.918143 (E_RNA)
where:
Base-Base interactions energy: -82.581
where: short stacking energy: -44.260
Base-Backbone interact. energy: -0.010
local terms energy: -74.327542
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -96.191101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.191101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.191101 (E_RNA)
where:
Base-Base interactions energy: -35.632
where: short stacking energy: -35.632
Base-Backbone interact. energy: -0.206
local terms energy: -60.352280
where:
bonds (distance) C4'-P energy: -17.754
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -7.076
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: 8, replica: 8
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -92.680891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.680891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.680891 (E_RNA)
where:
Base-Base interactions energy: -35.606
where: short stacking energy: -35.606
Base-Backbone interact. energy: -0.026
local terms energy: -57.049361
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -10.419
flat angles P-C4'-P energy: -8.693
tors. eta vs tors. theta energy: -9.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -79.846301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.846301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.846301 (E_RNA)
where:
Base-Base interactions energy: -27.558
where: short stacking energy: -20.074
Base-Backbone interact. energy: 1.700
local terms energy: -53.987767
where:
bonds (distance) C4'-P energy: -16.761
bonds (distance) P-C4' energy: -13.699
flat angles C4'-P-C4' energy: -12.468
flat angles P-C4'-P energy: -11.256
tors. eta vs tors. theta energy: 0.196
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: 455
Temperature: 1.350000
Total energy: -91.907077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.907077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.907077 (E_RNA)
where:
Base-Base interactions energy: -43.965
where: short stacking energy: -26.992
Base-Backbone interact. energy: -0.081
local terms energy: -47.860305
where:
bonds (distance) C4'-P energy: -10.253
bonds (distance) P-C4' energy: -13.903
flat angles C4'-P-C4' energy: -14.596
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: 0.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -263.139928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.139928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.139928 (E_RNA)
where:
Base-Base interactions energy: -183.406
where: short stacking energy: -70.045
Base-Backbone interact. energy: -0.846
local terms energy: -78.888828
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -19.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -247.890056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.890056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.890056 (E_RNA)
where:
Base-Base interactions energy: -172.026
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.348
local terms energy: -75.516581
where:
bonds (distance) C4'-P energy: -13.766
bonds (distance) P-C4' energy: -16.212
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -18.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -230.563012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.563012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.563012 (E_RNA)
where:
Base-Base interactions energy: -151.316
where: short stacking energy: -61.984
Base-Backbone interact. energy: -0.551
local terms energy: -78.695599
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -15.129
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -16.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -231.675630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.675630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.675630 (E_RNA)
where:
Base-Base interactions energy: -156.760
where: short stacking energy: -72.273
Base-Backbone interact. energy: -0.625
local terms energy: -74.289819
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -12.282
tors. eta vs tors. theta energy: -17.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -163.955574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.955574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.955574 (E_RNA)
where:
Base-Base interactions energy: -101.509
where: short stacking energy: -65.933
Base-Backbone interact. energy: -0.877
local terms energy: -61.569230
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -15.428
flat angles P-C4'-P energy: -3.910
tors. eta vs tors. theta energy: -13.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -160.772457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.772457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.772457 (E_RNA)
where:
Base-Base interactions energy: -104.591
where: short stacking energy: -49.881
Base-Backbone interact. energy: -0.059
local terms energy: -56.121832
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -7.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -141.286402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.286402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.286402 (E_RNA)
where:
Base-Base interactions energy: -82.975
where: short stacking energy: -48.847
Base-Backbone interact. energy: -0.122
local terms energy: -58.189126
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -9.557
flat angles P-C4'-P energy: -10.409
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: 8, replica: 3
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -96.644303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.644303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.644303 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -32.293
Base-Backbone interact. energy: -0.299
local terms energy: -58.838736
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -0.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -83.420425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.420425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.420425 (E_RNA)
where:
Base-Base interactions energy: -28.520
where: short stacking energy: -25.943
Base-Backbone interact. energy: -0.319
local terms energy: -54.581633
where:
bonds (distance) C4'-P energy: -19.387
bonds (distance) P-C4' energy: -13.955
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -10.073
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: 10, replica: 5
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -82.385141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.385141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.385141 (E_RNA)
where:
Base-Base interactions energy: -23.658
where: short stacking energy: -21.471
Base-Backbone interact. energy: -0.295
local terms energy: -58.431195
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -15.405
flat angles P-C4'-P energy: -10.831
tors. eta vs tors. theta energy: 0.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -254.900357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.900357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.900357 (E_RNA)
where:
Base-Base interactions energy: -175.430
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.133
local terms energy: -79.336885
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -9.909
tors. eta vs tors. theta energy: -16.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -226.935013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.935013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.935013 (E_RNA)
where:
Base-Base interactions energy: -158.230
where: short stacking energy: -67.375
Base-Backbone interact. energy: -0.445
local terms energy: -68.259826
where:
bonds (distance) C4'-P energy: -12.868
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -15.457
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -12.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -241.356822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.356822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.356822 (E_RNA)
where:
Base-Base interactions energy: -172.800
where: short stacking energy: -68.095
Base-Backbone interact. energy: 0.256
local terms energy: -68.812229
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -10.138
tors. eta vs tors. theta energy: -15.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -225.724482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.724482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.724482 (E_RNA)
where:
Base-Base interactions energy: -147.332
where: short stacking energy: -71.632
Base-Backbone interact. energy: -0.488
local terms energy: -77.905240
where:
bonds (distance) C4'-P energy: -14.936
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -159.750225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.750225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.750225 (E_RNA)
where:
Base-Base interactions energy: -100.334
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.781
local terms energy: -58.635020
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -11.803
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -12.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -172.466881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.466881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.466881 (E_RNA)
where:
Base-Base interactions energy: -101.037
where: short stacking energy: -57.794
Base-Backbone interact. energy: -0.361
local terms energy: -71.069166
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -11.038
flat angles C4'-P-C4' energy: -17.500
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -13.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -157.237004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.237004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.237004 (E_RNA)
where:
Base-Base interactions energy: -102.536
where: short stacking energy: -60.715
Base-Backbone interact. energy: -0.058
local terms energy: -54.643059
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -11.385
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -6.747
tors. eta vs tors. theta energy: -8.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -98.911134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.911134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.911134 (E_RNA)
where:
Base-Base interactions energy: -36.241
where: short stacking energy: -36.241
Base-Backbone interact. energy: -0.155
local terms energy: -62.515346
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.591
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -5.096
tors. eta vs tors. theta energy: -9.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -82.531233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.531233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.531233 (E_RNA)
where:
Base-Base interactions energy: -27.128
where: short stacking energy: -25.406
Base-Backbone interact. energy: -0.090
local terms energy: -55.313317
where:
bonds (distance) C4'-P energy: -12.966
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -1.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -82.829739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.829739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.829739 (E_RNA)
where:
Base-Base interactions energy: -30.913
where: short stacking energy: -30.913
Base-Backbone interact. energy: -0.603
local terms energy: -51.313641
where:
bonds (distance) C4'-P energy: -13.400
bonds (distance) P-C4' energy: -14.956
flat angles C4'-P-C4' energy: -12.040
flat angles P-C4'-P energy: -9.024
tors. eta vs tors. theta energy: -1.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -254.903806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.903806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.903806 (E_RNA)
where:
Base-Base interactions energy: -176.105
where: short stacking energy: -65.838
Base-Backbone interact. energy: 0.565
local terms energy: -79.363670
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -19.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -238.665481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.665481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.665481 (E_RNA)
where:
Base-Base interactions energy: -161.439
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.316
local terms energy: -76.910679
where:
bonds (distance) C4'-P energy: -9.149
bonds (distance) P-C4' energy: -16.635
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -16.345
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: 3, replica: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -235.937968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.937968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.937968 (E_RNA)
where:
Base-Base interactions energy: -153.122
where: short stacking energy: -71.739
Base-Backbone interact. energy: 0.351
local terms energy: -83.166754
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -21.277
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: 458
Temperature: 1.050000
Total energy: -243.414440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.414440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.414440 (E_RNA)
where:
Base-Base interactions energy: -163.249
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.090
local terms energy: -80.076024
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -12.208
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -10.946
tors. eta vs tors. theta energy: -20.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -155.157734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.157734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.157734 (E_RNA)
where:
Base-Base interactions energy: -95.278
where: short stacking energy: -46.972
Base-Backbone interact. energy: -0.042
local terms energy: -59.838302
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -13.797
flat angles C4'-P-C4' energy: -17.504
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -5.622
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: 10
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -184.218035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.218035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.218035 (E_RNA)
where:
Base-Base interactions energy: -112.548
where: short stacking energy: -60.048
Base-Backbone interact. energy: -0.045
local terms energy: -71.625027
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -19.099
flat angles C4'-P-C4' energy: -9.360
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -16.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -181.860092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.860092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.860092 (E_RNA)
where:
Base-Base interactions energy: -112.750
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.822
local terms energy: -68.288124
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -9.952
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: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -85.579192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.579192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.579192 (E_RNA)
where:
Base-Base interactions energy: -30.316
where: short stacking energy: -30.316
Base-Backbone interact. energy: -0.104
local terms energy: -55.158653
where:
bonds (distance) C4'-P energy: -14.812
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: -3.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -98.839318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.839318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.839318 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.152
local terms energy: -64.742420
where:
bonds (distance) C4'-P energy: -17.999
bonds (distance) P-C4' energy: -15.616
flat angles C4'-P-C4' energy: -15.724
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: -5.868
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: 3
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -88.347304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.347304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.347304 (E_RNA)
where:
Base-Base interactions energy: -31.233
where: short stacking energy: -31.233
Base-Backbone interact. energy: -0.926
local terms energy: -56.188254
where:
bonds (distance) C4'-P energy: -15.499
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -11.563
flat angles P-C4'-P energy: -9.043
tors. eta vs tors. theta energy: -4.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -255.857240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.857240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.857240 (E_RNA)
where:
Base-Base interactions energy: -179.905
where: short stacking energy: -69.918
Base-Backbone interact. energy: -0.189
local terms energy: -75.763372
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -248.022651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.022651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.022651 (E_RNA)
where:
Base-Base interactions energy: -164.942
where: short stacking energy: -71.809
Base-Backbone interact. energy: -0.552
local terms energy: -82.528622
where:
bonds (distance) C4'-P energy: -15.479
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -15.242
flat angles P-C4'-P energy: -13.048
tors. eta vs tors. theta energy: -21.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -237.593395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.593395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.593395 (E_RNA)
where:
Base-Base interactions energy: -159.027
where: short stacking energy: -76.282
Base-Backbone interact. energy: -0.371
local terms energy: -78.195236
where:
bonds (distance) C4'-P energy: -11.102
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -12.649
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: 4, replica: 2
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -241.100300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.100300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.100300 (E_RNA)
where:
Base-Base interactions energy: -160.008
where: short stacking energy: -74.534
Base-Backbone interact. energy: -0.024
local terms energy: -81.069099
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -17.743
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -19.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -180.502110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.502110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.502110 (E_RNA)
where:
Base-Base interactions energy: -108.868
where: short stacking energy: -56.896
Base-Backbone interact. energy: -0.129
local terms energy: -71.504798
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -8.247
tors. eta vs tors. theta energy: -15.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -179.359336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.359336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.359336 (E_RNA)
where:
Base-Base interactions energy: -105.428
where: short stacking energy: -69.796
Base-Backbone interact. energy: 0.250
local terms energy: -74.180546
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -10.138
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -13.067
tors. eta vs tors. theta energy: -18.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -153.737658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.737658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.737658 (E_RNA)
where:
Base-Base interactions energy: -89.444
where: short stacking energy: -55.198
Base-Backbone interact. energy: -0.183
local terms energy: -64.110481
where:
bonds (distance) C4'-P energy: -13.375
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -101.717237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.717237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.717237 (E_RNA)
where:
Base-Base interactions energy: -36.638
where: short stacking energy: -36.638
Base-Backbone interact. energy: -0.101
local terms energy: -64.978421
where:
bonds (distance) C4'-P energy: -10.085
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -15.156
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: 9, replica: 5
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -75.768785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.768785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.768785 (E_RNA)
where:
Base-Base interactions energy: -32.197
where: short stacking energy: -22.571
Base-Backbone interact. energy: -1.357
local terms energy: -42.214612
where:
bonds (distance) C4'-P energy: -11.822
bonds (distance) P-C4' energy: -10.292
flat angles C4'-P-C4' energy: -12.860
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.618895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.618895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.618895 (E_RNA)
where:
Base-Base interactions energy: -37.301
where: short stacking energy: -37.301
Base-Backbone interact. energy: -0.160
local terms energy: -45.157665
where:
bonds (distance) C4'-P energy: -8.687
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -12.129
flat angles P-C4'-P energy: -8.203
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: 1, replica: 6
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -249.955160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.955160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.955160 (E_RNA)
where:
Base-Base interactions energy: -180.575
where: short stacking energy: -68.297
Base-Backbone interact. energy: -0.874
local terms energy: -68.505844
where:
bonds (distance) C4'-P energy: -14.279
bonds (distance) P-C4' energy: -13.288
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -9.347
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: 2, replica: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -239.250809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.250809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.250809 (E_RNA)
where:
Base-Base interactions energy: -159.682
where: short stacking energy: -69.721
Base-Backbone interact. energy: -1.089
local terms energy: -78.479597
where:
bonds (distance) C4'-P energy: -12.379
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -17.783
flat angles P-C4'-P energy: -11.043
tors. eta vs tors. theta energy: -18.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -245.054689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.054689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.054689 (E_RNA)
where:
Base-Base interactions energy: -166.415
where: short stacking energy: -78.459
Base-Backbone interact. energy: -2.610
local terms energy: -76.028976
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -14.645
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -12.525
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: 2
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -239.872262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.872262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.872262 (E_RNA)
where:
Base-Base interactions energy: -160.378
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.797
local terms energy: -78.697465
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -11.453
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -12.195
tors. eta vs tors. theta energy: -20.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -171.565528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.565528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.565528 (E_RNA)
where:
Base-Base interactions energy: -100.937
where: short stacking energy: -60.532
Base-Backbone interact. energy: -0.031
local terms energy: -70.598102
where:
bonds (distance) C4'-P energy: -9.792
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -12.863
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -20.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -142.437020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.437020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.437020 (E_RNA)
where:
Base-Base interactions energy: -76.121
where: short stacking energy: -25.465
Base-Backbone interact. energy: -1.017
local terms energy: -65.299212
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -17.954
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -12.533
tors. eta vs tors. theta energy: -4.648
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: 7, replica: 10
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -156.772411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.772411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.772411 (E_RNA)
where:
Base-Base interactions energy: -91.726
where: short stacking energy: -58.592
Base-Backbone interact. energy: -1.060
local terms energy: -63.986485
where:
bonds (distance) C4'-P energy: -10.821
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -10.428
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: 8, replica: 7
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -96.827440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.827440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.827440 (E_RNA)
where:
Base-Base interactions energy: -31.573
where: short stacking energy: -31.573
Base-Backbone interact. energy: -0.370
local terms energy: -64.885006
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -10.283
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: 9, replica: 3
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -85.324328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.324328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.324328 (E_RNA)
where:
Base-Base interactions energy: -31.208
where: short stacking energy: -19.987
Base-Backbone interact. energy: -0.229
local terms energy: -53.886936
where:
bonds (distance) C4'-P energy: -10.668
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.307
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: 5
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.623849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.623849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.623849 (E_RNA)
where:
Base-Base interactions energy: -26.889
where: short stacking energy: -26.889
Base-Backbone interact. energy: -0.071
local terms energy: -56.663446
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -17.897
flat angles C4'-P-C4' energy: -12.453
flat angles P-C4'-P energy: -4.736
tors. eta vs tors. theta energy: -3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -241.541161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.541161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.541161 (E_RNA)
where:
Base-Base interactions energy: -162.998
where: short stacking energy: -64.225
Base-Backbone interact. energy: -0.824
local terms energy: -77.719390
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.614
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -17.987
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: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -240.129076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.129076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.129076 (E_RNA)
where:
Base-Base interactions energy: -154.526
where: short stacking energy: -58.742
Base-Backbone interact. energy: -0.283
local terms energy: -85.319740
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -13.735
tors. eta vs tors. theta energy: -17.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -233.433576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.433576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.433576 (E_RNA)
where:
Base-Base interactions energy: -156.011
where: short stacking energy: -65.137
Base-Backbone interact. energy: 1.705
local terms energy: -79.128229
where:
bonds (distance) C4'-P energy: -15.942
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.789
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -15.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -243.678219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.678219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.678219 (E_RNA)
where:
Base-Base interactions energy: -168.314
where: short stacking energy: -69.899
Base-Backbone interact. energy: -0.899
local terms energy: -74.465778
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -19.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -186.668511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.668511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.668511 (E_RNA)
where:
Base-Base interactions energy: -116.344
where: short stacking energy: -59.490
Base-Backbone interact. energy: -1.068
local terms energy: -69.256519
where:
bonds (distance) C4'-P energy: -13.884
bonds (distance) P-C4' energy: -18.192
flat angles C4'-P-C4' energy: -11.077
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -13.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -170.434348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.434348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.434348 (E_RNA)
where:
Base-Base interactions energy: -107.323
where: short stacking energy: -52.616
Base-Backbone interact. energy: -0.747
local terms energy: -62.364677
where:
bonds (distance) C4'-P energy: -10.229
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -7.137
tors. eta vs tors. theta energy: -10.836
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: 8
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -152.139844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.139844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.139844 (E_RNA)
where:
Base-Base interactions energy: -90.605
where: short stacking energy: -46.095
Base-Backbone interact. energy: -0.221
local terms energy: -61.313733
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -15.356
flat angles C4'-P-C4' energy: -12.362
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -8.573
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: 7
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -91.137425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.137425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.137425 (E_RNA)
where:
Base-Base interactions energy: -38.515
where: short stacking energy: -26.136
Base-Backbone interact. energy: 0.620
local terms energy: -53.241543
where:
bonds (distance) C4'-P energy: -17.858
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -10.982
flat angles P-C4'-P energy: -6.424
tors. eta vs tors. theta energy: -1.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -91.980787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.980787 (E_RNA)
where:
Base-Base interactions energy: -45.380
where: short stacking energy: -16.034
Base-Backbone interact. energy: -0.470
local terms energy: -46.131462
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -13.719
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: 6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -90.916353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.916353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.916353 (E_RNA)
where:
Base-Base interactions energy: -48.317
where: short stacking energy: -34.480
Base-Backbone interact. energy: -0.073
local terms energy: -42.527146
where:
bonds (distance) C4'-P energy: -14.307
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -0.012
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -249.086555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.086555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.086555 (E_RNA)
where:
Base-Base interactions energy: -168.368
where: short stacking energy: -67.791
Base-Backbone interact. energy: -0.087
local terms energy: -80.630890
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -15.356
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: 6
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -236.318143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.318143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.318143 (E_RNA)
where:
Base-Base interactions energy: -162.774
where: short stacking energy: -74.878
Base-Backbone interact. energy: -0.499
local terms energy: -73.045180
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -14.205
flat angles C4'-P-C4' energy: -16.075
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -20.080
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: 462
Temperature: 1.000000
Total energy: -232.449809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.449809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.449809 (E_RNA)
where:
Base-Base interactions energy: -153.980
where: short stacking energy: -76.192
Base-Backbone interact. energy: -0.800
local terms energy: -77.669634
where:
bonds (distance) C4'-P energy: -15.400
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -15.185
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -23.067
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: 4
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -226.921934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.921934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.921934 (E_RNA)
where:
Base-Base interactions energy: -161.260
where: short stacking energy: -62.079
Base-Backbone interact. energy: -0.452
local terms energy: -65.209614
where:
bonds (distance) C4'-P energy: -17.670
bonds (distance) P-C4' energy: -11.848
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -7.016
tors. eta vs tors. theta energy: -15.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -198.735768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.735768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.735768 (E_RNA)
where:
Base-Base interactions energy: -119.223
where: short stacking energy: -65.075
Base-Backbone interact. energy: -0.026
local terms energy: -79.486401
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -13.890
flat angles C4'-P-C4' energy: -19.118
flat angles P-C4'-P energy: -9.605
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -152.088832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.088832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.088832 (E_RNA)
where:
Base-Base interactions energy: -82.131
where: short stacking energy: -46.752
Base-Backbone interact. energy: -0.082
local terms energy: -69.876561
where:
bonds (distance) C4'-P energy: -9.538
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -11.744
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: 7, replica: 8
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -157.763567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.763567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.763567 (E_RNA)
where:
Base-Base interactions energy: -94.794
where: short stacking energy: -39.476
Base-Backbone interact. energy: -0.183
local terms energy: -62.786815
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -12.647
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -7.568
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -94.510548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.510548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.510548 (E_RNA)
where:
Base-Base interactions energy: -41.613
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.170
local terms energy: -52.727458
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -14.993
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: -1.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -99.081654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.081654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.081654 (E_RNA)
where:
Base-Base interactions energy: -40.713
where: short stacking energy: -35.724
Base-Backbone interact. energy: -0.066
local terms energy: -58.302940
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -16.392
flat angles P-C4'-P energy: -0.373
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: 10, replica: 3
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -80.433512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.433512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.433512 (E_RNA)
where:
Base-Base interactions energy: -20.040
where: short stacking energy: -16.376
Base-Backbone interact. energy: -1.308
local terms energy: -59.085850
where:
bonds (distance) C4'-P energy: -16.687
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -13.833
flat angles P-C4'-P energy: -11.824
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: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -247.801469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.801469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.801469 (E_RNA)
where:
Base-Base interactions energy: -162.455
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.973
local terms energy: -84.372913
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -13.227
tors. eta vs tors. theta energy: -21.030
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: 6
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -237.962966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.962966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.962966 (E_RNA)
where:
Base-Base interactions energy: -154.323
where: short stacking energy: -71.404
Base-Backbone interact. energy: -0.731
local terms energy: -82.909423
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -18.098
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -19.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -243.313712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.313712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.313712 (E_RNA)
where:
Base-Base interactions energy: -168.098
where: short stacking energy: -70.873
Base-Backbone interact. energy: 0.325
local terms energy: -75.540838
where:
bonds (distance) C4'-P energy: -13.906
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -4.204
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: 4, replica: 4
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -225.726749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.726749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.726749 (E_RNA)
where:
Base-Base interactions energy: -151.042
where: short stacking energy: -67.678
Base-Backbone interact. energy: -0.238
local terms energy: -74.447558
where:
bonds (distance) C4'-P energy: -12.844
bonds (distance) P-C4' energy: -14.894
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -10.290
tors. eta vs tors. theta energy: -18.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -183.734039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.734039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.734039 (E_RNA)
where:
Base-Base interactions energy: -106.975
where: short stacking energy: -53.696
Base-Backbone interact. energy: -0.117
local terms energy: -76.642250
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -13.304
flat angles P-C4'-P energy: -13.888
tors. eta vs tors. theta energy: -16.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -172.214186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.214186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.214186 (E_RNA)
where:
Base-Base interactions energy: -101.261
where: short stacking energy: -56.208
Base-Backbone interact. energy: -0.109
local terms energy: -70.844032
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -8.455
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: 7, replica: 10
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -135.780086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.780086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.780086 (E_RNA)
where:
Base-Base interactions energy: -85.391
where: short stacking energy: -43.247
Base-Backbone interact. energy: 0.820
local terms energy: -51.209767
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -8.826
flat angles P-C4'-P energy: -6.921
tors. eta vs tors. theta energy: -8.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -92.997995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.997995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.997995 (E_RNA)
where:
Base-Base interactions energy: -36.903
where: short stacking energy: -34.476
Base-Backbone interact. energy: -0.097
local terms energy: -55.998218
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -11.588
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -4.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -92.005818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.005818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.005818 (E_RNA)
where:
Base-Base interactions energy: -30.837
where: short stacking energy: -30.837
Base-Backbone interact. energy: -0.100
local terms energy: -61.069344
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.046
flat angles C4'-P-C4' energy: -18.060
flat angles P-C4'-P energy: -4.541
tors. eta vs tors. theta energy: -7.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -87.715129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.715129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.715129 (E_RNA)
where:
Base-Base interactions energy: -34.898
where: short stacking energy: -22.882
Base-Backbone interact. energy: -0.718
local terms energy: -52.099345
where:
bonds (distance) C4'-P energy: -12.436
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -8.786
tors. eta vs tors. theta energy: -0.309
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: 1, replica: 6
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -243.097658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.097658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.097658 (E_RNA)
where:
Base-Base interactions energy: -163.041
where: short stacking energy: -69.869
Base-Backbone interact. energy: -0.956
local terms energy: -79.100725
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -8.408
tors. eta vs tors. theta energy: -19.177
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: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -245.675012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.675012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.675012 (E_RNA)
where:
Base-Base interactions energy: -161.237
where: short stacking energy: -78.692
Base-Backbone interact. energy: -0.346
local terms energy: -84.092397
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -17.534
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -231.746598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.746598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.746598 (E_RNA)
where:
Base-Base interactions energy: -162.354
where: short stacking energy: -69.494
Base-Backbone interact. energy: -1.028
local terms energy: -68.364390
where:
bonds (distance) C4'-P energy: -11.861
bonds (distance) P-C4' energy: -14.995
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.607
tors. eta vs tors. theta energy: -17.205
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: 4, replica: 2
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -227.810526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.810526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.810526 (E_RNA)
where:
Base-Base interactions energy: -166.112
where: short stacking energy: -65.690
Base-Backbone interact. energy: -0.398
local terms energy: -61.300417
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -12.737
flat angles C4'-P-C4' energy: -8.949
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -202.088832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.088832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.088832 (E_RNA)
where:
Base-Base interactions energy: -126.477
where: short stacking energy: -61.952
Base-Backbone interact. energy: -0.082
local terms energy: -75.529232
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: -13.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -160.016280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.016280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.016280 (E_RNA)
where:
Base-Base interactions energy: -104.643
where: short stacking energy: -54.174
Base-Backbone interact. energy: -0.000
local terms energy: -55.373272
where:
bonds (distance) C4'-P energy: -5.715
bonds (distance) P-C4' energy: -9.777
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -8.245
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: 7, replica: 10
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -159.070189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.070189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.070189 (E_RNA)
where:
Base-Base interactions energy: -88.625
where: short stacking energy: -46.822
Base-Backbone interact. energy: -0.097
local terms energy: -70.348068
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -7.562
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: 8, replica: 5
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -89.051669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.051669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.051669 (E_RNA)
where:
Base-Base interactions energy: -34.204
where: short stacking energy: -21.954
Base-Backbone interact. energy: -0.021
local terms energy: -54.826252
where:
bonds (distance) C4'-P energy: -12.336
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -12.021
flat angles P-C4'-P energy: -11.929
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: 9, replica: 3
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -80.479832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.479832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.479832 (E_RNA)
where:
Base-Base interactions energy: -24.602
where: short stacking energy: -25.302
Base-Backbone interact. energy: -0.296
local terms energy: -55.582028
where:
bonds (distance) C4'-P energy: -13.169
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -14.291
flat angles P-C4'-P energy: -8.390
tors. eta vs tors. theta energy: -2.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -77.721320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.721320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.721320 (E_RNA)
where:
Base-Base interactions energy: -24.463
where: short stacking energy: -19.446
Base-Backbone interact. energy: -0.146
local terms energy: -53.112009
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: 0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -256.377865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.377865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.377865 (E_RNA)
where:
Base-Base interactions energy: -172.355
where: short stacking energy: -73.775
Base-Backbone interact. energy: -2.044
local terms energy: -81.978813
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -15.755
flat angles P-C4'-P energy: -13.197
tors. eta vs tors. theta energy: -20.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -241.405344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.405344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.405344 (E_RNA)
where:
Base-Base interactions energy: -157.361
where: short stacking energy: -69.161
Base-Backbone interact. energy: -1.711
local terms energy: -82.333098
where:
bonds (distance) C4'-P energy: -15.917
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -13.916
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: 3, replica: 4
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -235.344344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.344344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.344344 (E_RNA)
where:
Base-Base interactions energy: -160.769
where: short stacking energy: -62.706
Base-Backbone interact. energy: -0.783
local terms energy: -73.792801
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -14.728
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -9.716
tors. eta vs tors. theta energy: -15.194
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: 2
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -231.751555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.751555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.751555 (E_RNA)
where:
Base-Base interactions energy: -160.402
where: short stacking energy: -62.938
Base-Backbone interact. energy: -0.298
local terms energy: -71.052218
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -17.213
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -12.406
tors. eta vs tors. theta energy: -11.564
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: 1
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -186.229604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.229604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.229604 (E_RNA)
where:
Base-Base interactions energy: -117.793
where: short stacking energy: -60.157
Base-Backbone interact. energy: 1.823
local terms energy: -70.259823
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -18.964
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.614
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: 6, replica: 10
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -148.198355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.198355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.198355 (E_RNA)
where:
Base-Base interactions energy: -82.168
where: short stacking energy: -44.215
Base-Backbone interact. energy: -0.062
local terms energy: -65.968351
where:
bonds (distance) C4'-P energy: -12.117
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -12.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -152.013283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.013283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.013283 (E_RNA)
where:
Base-Base interactions energy: -87.306
where: short stacking energy: -42.436
Base-Backbone interact. energy: 0.473
local terms energy: -65.179658
where:
bonds (distance) C4'-P energy: -11.073
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: -9.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -84.072127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.072127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.072127 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -27.051
Base-Backbone interact. energy: -0.385
local terms energy: -54.270117
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -17.075
flat angles C4'-P-C4' energy: -11.129
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -90.316523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.316523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.316523 (E_RNA)
where:
Base-Base interactions energy: -40.179
where: short stacking energy: -30.370
Base-Backbone interact. energy: 0.075
local terms energy: -50.212320
where:
bonds (distance) C4'-P energy: -15.993
bonds (distance) P-C4' energy: -13.082
flat angles C4'-P-C4' energy: -14.471
flat angles P-C4'-P energy: -6.467
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: 10, replica: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -80.695227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.695227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.695227 (E_RNA)
where:
Base-Base interactions energy: -26.191
where: short stacking energy: -25.247
Base-Backbone interact. energy: -0.265
local terms energy: -54.239160
where:
bonds (distance) C4'-P energy: -15.905
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -11.846
flat angles P-C4'-P energy: -7.384
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -243.048215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.048215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.048215 (E_RNA)
where:
Base-Base interactions energy: -160.746
where: short stacking energy: -71.607
Base-Backbone interact. energy: -0.716
local terms energy: -81.585651
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -18.633
flat angles P-C4'-P energy: -9.200
tors. eta vs tors. theta energy: -20.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -250.767477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.767477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.767477 (E_RNA)
where:
Base-Base interactions energy: -165.002
where: short stacking energy: -69.330
Base-Backbone interact. energy: -0.435
local terms energy: -85.329876
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -21.697
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: 3, replica: 2
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -233.106867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.106867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.106867 (E_RNA)
where:
Base-Base interactions energy: -153.977
where: short stacking energy: -65.374
Base-Backbone interact. energy: -0.633
local terms energy: -78.495942
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -17.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -226.254905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.254905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.254905 (E_RNA)
where:
Base-Base interactions energy: -151.466
where: short stacking energy: -61.732
Base-Backbone interact. energy: -1.611
local terms energy: -73.177895
where:
bonds (distance) C4'-P energy: -14.547
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -15.256
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -20.764
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: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -190.527513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.527513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.527513 (E_RNA)
where:
Base-Base interactions energy: -118.338
where: short stacking energy: -55.006
Base-Backbone interact. energy: -0.262
local terms energy: -71.927574
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -13.810
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -16.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -157.390372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.390372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.390372 (E_RNA)
where:
Base-Base interactions energy: -99.367
where: short stacking energy: -62.847
Base-Backbone interact. energy: -0.001
local terms energy: -58.022077
where:
bonds (distance) C4'-P energy: -11.620
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.124
flat angles P-C4'-P energy: -7.152
tors. eta vs tors. theta energy: -13.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -151.541517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.541517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.541517 (E_RNA)
where:
Base-Base interactions energy: -88.160
where: short stacking energy: -44.548
Base-Backbone interact. energy: -0.884
local terms energy: -62.497156
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -15.585
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -7.336
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: 3
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -98.056030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.056030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.056030 (E_RNA)
where:
Base-Base interactions energy: -37.480
where: short stacking energy: -28.419
Base-Backbone interact. energy: -0.893
local terms energy: -59.682937
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -7.438
tors. eta vs tors. theta energy: -3.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -88.219823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.219823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.219823 (E_RNA)
where:
Base-Base interactions energy: -28.859
where: short stacking energy: -24.071
Base-Backbone interact. energy: -0.569
local terms energy: -58.791952
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -11.806
flat angles P-C4'-P energy: -11.973
tors. eta vs tors. theta energy: -7.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -87.023659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.023659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.023659 (E_RNA)
where:
Base-Base interactions energy: -28.461
where: short stacking energy: -27.807
Base-Backbone interact. energy: -0.581
local terms energy: -57.981958
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -5.522
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: 9
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -255.003461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.003461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.003461 (E_RNA)
where:
Base-Base interactions energy: -174.753
where: short stacking energy: -73.945
Base-Backbone interact. energy: -0.434
local terms energy: -79.816064
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -15.284
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -20.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -246.157131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.157131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.157131 (E_RNA)
where:
Base-Base interactions energy: -173.479
where: short stacking energy: -63.500
Base-Backbone interact. energy: -0.032
local terms energy: -72.645859
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -14.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -235.687680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.687680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.687680 (E_RNA)
where:
Base-Base interactions energy: -156.132
where: short stacking energy: -63.831
Base-Backbone interact. energy: -1.173
local terms energy: -78.382488
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -13.774
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -14.673
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -232.631600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.631600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.631600 (E_RNA)
where:
Base-Base interactions energy: -166.043
where: short stacking energy: -62.538
Base-Backbone interact. energy: 1.770
local terms energy: -68.358670
where:
bonds (distance) C4'-P energy: -15.792
bonds (distance) P-C4' energy: -11.259
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.778
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: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -192.230668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.230668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.230668 (E_RNA)
where:
Base-Base interactions energy: -116.915
where: short stacking energy: -55.222
Base-Backbone interact. energy: -0.188
local terms energy: -75.127968
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -11.947
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -18.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -172.850910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.850910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.850910 (E_RNA)
where:
Base-Base interactions energy: -95.903
where: short stacking energy: -55.973
Base-Backbone interact. energy: -0.076
local terms energy: -76.871631
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: -16.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -160.923395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.923395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.923395 (E_RNA)
where:
Base-Base interactions energy: -96.274
where: short stacking energy: -50.936
Base-Backbone interact. energy: 0.227
local terms energy: -64.875735
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -11.803
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: 7
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -100.263668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.263668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.263668 (E_RNA)
where:
Base-Base interactions energy: -45.834
where: short stacking energy: -33.112
Base-Backbone interact. energy: -0.183
local terms energy: -54.247238
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -12.189
flat angles P-C4'-P energy: -4.922
tors. eta vs tors. theta energy: -3.717
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: 3
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -89.709874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.709874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.709874 (E_RNA)
where:
Base-Base interactions energy: -39.330
where: short stacking energy: -31.557
Base-Backbone interact. energy: -0.201
local terms energy: -50.178497
where:
bonds (distance) C4'-P energy: -13.882
bonds (distance) P-C4' energy: -10.323
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -2.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -82.355689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.355689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.355689 (E_RNA)
where:
Base-Base interactions energy: -34.879
where: short stacking energy: -32.511
Base-Backbone interact. energy: -0.123
local terms energy: -47.353302
where:
bonds (distance) C4'-P energy: -9.518
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -11.453
flat angles P-C4'-P energy: -7.564
tors. eta vs tors. theta energy: 0.565
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: 1, replica: 2
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -246.743556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.743556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.743556 (E_RNA)
where:
Base-Base interactions energy: -164.155
where: short stacking energy: -60.510
Base-Backbone interact. energy: -0.651
local terms energy: -81.937799
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -15.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -253.728368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.728368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.728368 (E_RNA)
where:
Base-Base interactions energy: -166.411
where: short stacking energy: -75.324
Base-Backbone interact. energy: -0.258
local terms energy: -87.059120
where:
bonds (distance) C4'-P energy: -14.827
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -11.761
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: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -233.065274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.065274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.065274 (E_RNA)
where:
Base-Base interactions energy: -156.765
where: short stacking energy: -65.913
Base-Backbone interact. energy: -0.240
local terms energy: -76.060912
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -18.523
flat angles P-C4'-P energy: -10.210
tors. eta vs tors. theta energy: -14.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -230.512121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.512121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.512121 (E_RNA)
where:
Base-Base interactions energy: -160.149
where: short stacking energy: -66.683
Base-Backbone interact. energy: -0.159
local terms energy: -70.204155
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -8.073
tors. eta vs tors. theta energy: -17.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -194.372272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.372272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.372272 (E_RNA)
where:
Base-Base interactions energy: -126.200
where: short stacking energy: -58.985
Base-Backbone interact. energy: -0.090
local terms energy: -68.081983
where:
bonds (distance) C4'-P energy: -8.789
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -15.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -194.448470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.448470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.448470 (E_RNA)
where:
Base-Base interactions energy: -124.263
where: short stacking energy: -51.663
Base-Backbone interact. energy: -0.586
local terms energy: -69.599408
where:
bonds (distance) C4'-P energy: -18.323
bonds (distance) P-C4' energy: -13.966
flat angles C4'-P-C4' energy: -13.042
flat angles P-C4'-P energy: -12.831
tors. eta vs tors. theta energy: -11.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -164.861624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.861624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.861624 (E_RNA)
where:
Base-Base interactions energy: -100.798
where: short stacking energy: -45.466
Base-Backbone interact. energy: -0.190
local terms energy: -63.873628
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -13.178
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -8.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -113.223797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.223797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.223797 (E_RNA)
where:
Base-Base interactions energy: -61.928
where: short stacking energy: -21.914
Base-Backbone interact. energy: -0.176
local terms energy: -51.119438
where:
bonds (distance) C4'-P energy: -16.322
bonds (distance) P-C4' energy: -14.155
flat angles C4'-P-C4' energy: -9.773
flat angles P-C4'-P energy: -6.503
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: 9, replica: 5
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -96.516096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.516096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.516096 (E_RNA)
where:
Base-Base interactions energy: -46.425
where: short stacking energy: -38.741
Base-Backbone interact. energy: -0.524
local terms energy: -49.567243
where:
bonds (distance) C4'-P energy: -8.240
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -11.532
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -5.081
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: 3
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -87.600283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600283 (E_RNA)
where:
Base-Base interactions energy: -34.663
where: short stacking energy: -32.552
Base-Backbone interact. energy: 0.384
local terms energy: -53.321928
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -16.513
flat angles C4'-P-C4' energy: -11.832
flat angles P-C4'-P energy: -4.400
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -249.753181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.753181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.753181 (E_RNA)
where:
Base-Base interactions energy: -170.731
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.502
local terms energy: -78.520598
where:
bonds (distance) C4'-P energy: -15.512
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -18.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -249.886283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.886283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.886283 (E_RNA)
where:
Base-Base interactions energy: -179.334
where: short stacking energy: -68.610
Base-Backbone interact. energy: -0.271
local terms energy: -70.281077
where:
bonds (distance) C4'-P energy: -10.582
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -13.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -241.108242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.108242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.108242 (E_RNA)
where:
Base-Base interactions energy: -160.047
where: short stacking energy: -70.656
Base-Backbone interact. energy: -0.327
local terms energy: -80.733994
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -20.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -226.650563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.650563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.650563 (E_RNA)
where:
Base-Base interactions energy: -158.013
where: short stacking energy: -70.707
Base-Backbone interact. energy: -1.737
local terms energy: -66.900022
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -188.645622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.645622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.645622 (E_RNA)
where:
Base-Base interactions energy: -116.581
where: short stacking energy: -56.897
Base-Backbone interact. energy: -0.027
local terms energy: -72.037128
where:
bonds (distance) C4'-P energy: -13.161
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -9.040
tors. eta vs tors. theta energy: -18.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -190.494743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.494743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.494743 (E_RNA)
where:
Base-Base interactions energy: -118.129
where: short stacking energy: -55.176
Base-Backbone interact. energy: -0.265
local terms energy: -72.100064
where:
bonds (distance) C4'-P energy: -16.737
bonds (distance) P-C4' energy: -17.040
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -13.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -149.517367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.517367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.517367 (E_RNA)
where:
Base-Base interactions energy: -83.545
where: short stacking energy: -45.979
Base-Backbone interact. energy: -0.015
local terms energy: -65.957048
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -7.123
tors. eta vs tors. theta energy: -11.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -101.718260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.718260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.718260 (E_RNA)
where:
Base-Base interactions energy: -47.269
where: short stacking energy: -35.100
Base-Backbone interact. energy: -0.007
local terms energy: -54.442557
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -14.095
flat angles C4'-P-C4' energy: -8.988
flat angles P-C4'-P energy: -6.468
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -92.390625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.390625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.390625 (E_RNA)
where:
Base-Base interactions energy: -42.481
where: short stacking energy: -24.665
Base-Backbone interact. energy: -0.247
local terms energy: -49.662173
where:
bonds (distance) C4'-P energy: -9.082
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -6.575
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -88.228382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.228382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.228382 (E_RNA)
where:
Base-Base interactions energy: -36.134
where: short stacking energy: -26.575
Base-Backbone interact. energy: -0.087
local terms energy: -52.007122
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -5.573
tors. eta vs tors. theta energy: -6.129
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: 4
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -255.678626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.678626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.678626 (E_RNA)
where:
Base-Base interactions energy: -180.059
where: short stacking energy: -69.451
Base-Backbone interact. energy: -0.403
local terms energy: -75.216945
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -9.511
tors. eta vs tors. theta energy: -15.698
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: 2, replica: 2
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -235.833342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.833342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.833342 (E_RNA)
where:
Base-Base interactions energy: -151.418
where: short stacking energy: -66.513
Base-Backbone interact. energy: -0.718
local terms energy: -83.697315
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -17.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -235.898092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.898092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.898092 (E_RNA)
where:
Base-Base interactions energy: -164.409
where: short stacking energy: -68.715
Base-Backbone interact. energy: -0.130
local terms energy: -71.359625
where:
bonds (distance) C4'-P energy: -17.015
bonds (distance) P-C4' energy: -8.897
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.423
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -223.162064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.162064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.162064 (E_RNA)
where:
Base-Base interactions energy: -147.513
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.590
local terms energy: -75.058414
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -12.956
flat angles P-C4'-P energy: -13.925
tors. eta vs tors. theta energy: -16.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -189.311918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.311918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.311918 (E_RNA)
where:
Base-Base interactions energy: -115.993
where: short stacking energy: -54.453
Base-Backbone interact. energy: -0.015
local terms energy: -73.304748
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -20.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -184.118942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.118942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.118942 (E_RNA)
where:
Base-Base interactions energy: -117.554
where: short stacking energy: -51.434
Base-Backbone interact. energy: -0.017
local terms energy: -66.547831
where:
bonds (distance) C4'-P energy: -13.476
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -7.245
tors. eta vs tors. theta energy: -14.603
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: 10
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -157.509341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.509341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.509341 (E_RNA)
where:
Base-Base interactions energy: -95.481
where: short stacking energy: -56.636
Base-Backbone interact. energy: -0.188
local terms energy: -61.840411
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -13.901
flat angles C4'-P-C4' energy: -8.044
flat angles P-C4'-P energy: -6.973
tors. eta vs tors. theta energy: -17.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -101.981886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.981886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.981886 (E_RNA)
where:
Base-Base interactions energy: -48.091
where: short stacking energy: -39.835
Base-Backbone interact. energy: -0.555
local terms energy: -53.336213
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -5.668
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: 7
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -91.655754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.655754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.655754 (E_RNA)
where:
Base-Base interactions energy: -41.607
where: short stacking energy: -29.197
Base-Backbone interact. energy: -0.559
local terms energy: -49.489407
where:
bonds (distance) C4'-P energy: -11.021
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -10.426
flat angles P-C4'-P energy: -7.972
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: 10, replica: 3
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -79.466395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.466395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.466395 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -27.565
Base-Backbone interact. energy: -0.362
local terms energy: -46.380929
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -11.843
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: 1.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -256.298476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.298476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.298476 (E_RNA)
where:
Base-Base interactions energy: -171.765
where: short stacking energy: -68.257
Base-Backbone interact. energy: -0.783
local terms energy: -83.750831
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -19.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -245.505280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.505280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.505280 (E_RNA)
where:
Base-Base interactions energy: -169.300
where: short stacking energy: -70.297
Base-Backbone interact. energy: -0.057
local terms energy: -76.147629
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -13.815
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -11.114
tors. eta vs tors. theta energy: -15.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -232.944986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.944986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.944986 (E_RNA)
where:
Base-Base interactions energy: -159.862
where: short stacking energy: -70.833
Base-Backbone interact. energy: -0.390
local terms energy: -72.692559
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -17.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -195.487350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.487350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.487350 (E_RNA)
where:
Base-Base interactions energy: -129.317
where: short stacking energy: -57.861
Base-Backbone interact. energy: -0.066
local terms energy: -66.104485
where:
bonds (distance) C4'-P energy: -11.433
bonds (distance) P-C4' energy: -11.559
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -13.048
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: 5, replica: 9
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -219.193260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.193260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.193260 (E_RNA)
where:
Base-Base interactions energy: -149.770
where: short stacking energy: -69.109
Base-Backbone interact. energy: -0.407
local terms energy: -69.016057
where:
bonds (distance) C4'-P energy: -10.009
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -12.157
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: 6, replica: 8
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -153.056592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.056592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.056592 (E_RNA)
where:
Base-Base interactions energy: -82.666
where: short stacking energy: -45.200
Base-Backbone interact. energy: -0.057
local terms energy: -70.333158
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -6.833
tors. eta vs tors. theta energy: -12.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -132.460458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.460458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.460458 (E_RNA)
where:
Base-Base interactions energy: -80.091
where: short stacking energy: -42.894
Base-Backbone interact. energy: -0.434
local terms energy: -51.935354
where:
bonds (distance) C4'-P energy: -12.729
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -12.427
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -2.038
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: 5
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -102.147117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.147117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.147117 (E_RNA)
where:
Base-Base interactions energy: -46.053
where: short stacking energy: -30.469
Base-Backbone interact. energy: -0.108
local terms energy: -55.986270
where:
bonds (distance) C4'-P energy: -15.805
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -12.017
flat angles P-C4'-P energy: -10.293
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: 9, replica: 7
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -82.053982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.053982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.053982 (E_RNA)
where:
Base-Base interactions energy: -31.721
where: short stacking energy: -31.721
Base-Backbone interact. energy: -0.282
local terms energy: -50.051229
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -11.215
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -0.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -84.978874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.978874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.978874 (E_RNA)
where:
Base-Base interactions energy: -29.652
where: short stacking energy: -27.994
Base-Backbone interact. energy: -0.053
local terms energy: -55.273836
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: -2.982
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: 472
Temperature: 0.900000
Total energy: -255.098434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.098434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.098434 (E_RNA)
where:
Base-Base interactions energy: -184.565
where: short stacking energy: -67.571
Base-Backbone interact. energy: -1.122
local terms energy: -69.411317
where:
bonds (distance) C4'-P energy: -12.465
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -16.166
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: -17.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -239.114742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.114742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.114742 (E_RNA)
where:
Base-Base interactions energy: -160.609
where: short stacking energy: -72.126
Base-Backbone interact. energy: -0.177
local terms energy: -78.328882
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -16.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -208.642741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.642741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.642741 (E_RNA)
where:
Base-Base interactions energy: -136.815
where: short stacking energy: -66.118
Base-Backbone interact. energy: -0.053
local terms energy: -71.774843
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -16.223
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -14.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -230.938962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.938962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.938962 (E_RNA)
where:
Base-Base interactions energy: -160.881
where: short stacking energy: -67.050
Base-Backbone interact. energy: 0.400
local terms energy: -70.458215
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -10.027
flat angles C4'-P-C4' energy: -14.477
flat angles P-C4'-P energy: -9.143
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: 5, replica: 8
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -201.339837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.339837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.339837 (E_RNA)
where:
Base-Base interactions energy: -122.694
where: short stacking energy: -61.495
Base-Backbone interact. energy: -0.083
local terms energy: -78.562773
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -16.377
flat angles C4'-P-C4' energy: -18.148
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -18.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -215.015636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.015636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.015636 (E_RNA)
where:
Base-Base interactions energy: -150.785
where: short stacking energy: -62.052
Base-Backbone interact. energy: 1.141
local terms energy: -65.371266
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -12.573
flat angles C4'-P-C4' energy: -11.515
flat angles P-C4'-P energy: -10.275
tors. eta vs tors. theta energy: -15.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -131.071956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.071956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.071956 (E_RNA)
where:
Base-Base interactions energy: -71.901
where: short stacking energy: -36.464
Base-Backbone interact. energy: -0.230
local terms energy: -58.941154
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -16.834
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -6.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -97.602444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.602444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.602444 (E_RNA)
where:
Base-Base interactions energy: -46.201
where: short stacking energy: -21.054
Base-Backbone interact. energy: 0.159
local terms energy: -51.560564
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -2.933
tors. eta vs tors. theta energy: -0.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -90.364088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.364088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.364088 (E_RNA)
where:
Base-Base interactions energy: -49.746
where: short stacking energy: -23.699
Base-Backbone interact. energy: 0.653
local terms energy: -41.271293
where:
bonds (distance) C4'-P energy: -13.209
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -9.574
flat angles P-C4'-P energy: -1.673
tors. eta vs tors. theta energy: 1.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -85.192959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.192959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.192959 (E_RNA)
where:
Base-Base interactions energy: -30.502
where: short stacking energy: -30.502
Base-Backbone interact. energy: 0.427
local terms energy: -55.117654
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -12.418
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -253.537398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.537398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.537398 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -69.202
Base-Backbone interact. energy: 0.708
local terms energy: -73.632844
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -11.169
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: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -248.895924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.895924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.895924 (E_RNA)
where:
Base-Base interactions energy: -173.007
where: short stacking energy: -77.111
Base-Backbone interact. energy: -0.522
local terms energy: -75.367111
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -19.197
flat angles C4'-P-C4' energy: -15.190
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -200.405077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.405077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.405077 (E_RNA)
where:
Base-Base interactions energy: -121.955
where: short stacking energy: -61.337
Base-Backbone interact. energy: -0.915
local terms energy: -77.534907
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -15.839
flat angles C4'-P-C4' energy: -17.675
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -237.875929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.875929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.875929 (E_RNA)
where:
Base-Base interactions energy: -158.680
where: short stacking energy: -70.174
Base-Backbone interact. energy: -0.218
local terms energy: -78.977920
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -16.564
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: 473
Temperature: 1.100000
Total energy: -204.267656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.267656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.267656 (E_RNA)
where:
Base-Base interactions energy: -127.401
where: short stacking energy: -67.607
Base-Backbone interact. energy: -0.591
local terms energy: -76.275074
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -11.965
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -214.814702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.814702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.814702 (E_RNA)
where:
Base-Base interactions energy: -141.368
where: short stacking energy: -62.978
Base-Backbone interact. energy: 1.753
local terms energy: -75.199506
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -14.703
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -16.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -108.972117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.972117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.972117 (E_RNA)
where:
Base-Base interactions energy: -51.880
where: short stacking energy: -37.491
Base-Backbone interact. energy: 1.576
local terms energy: -58.668359
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.037
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -102.791431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.791431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.791431 (E_RNA)
where:
Base-Base interactions energy: -48.031
where: short stacking energy: -28.892
Base-Backbone interact. energy: -0.370
local terms energy: -54.389918
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -6.139
flat angles P-C4'-P energy: -9.977
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: 9, replica: 5
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -95.649621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.649621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.649621 (E_RNA)
where:
Base-Base interactions energy: -40.709
where: short stacking energy: -28.578
Base-Backbone interact. energy: -0.342
local terms energy: -54.598507
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -13.223
flat angles P-C4'-P energy: -6.560
tors. eta vs tors. theta energy: -3.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -87.682690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.682690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.682690 (E_RNA)
where:
Base-Base interactions energy: -29.023
where: short stacking energy: -28.578
Base-Backbone interact. energy: -0.216
local terms energy: -58.443093
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -4.072
tors. eta vs tors. theta energy: -7.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -254.010603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.010603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.010603 (E_RNA)
where:
Base-Base interactions energy: -172.513
where: short stacking energy: -69.805
Base-Backbone interact. energy: -0.285
local terms energy: -81.212097
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -17.051
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -12.855
tors. eta vs tors. theta energy: -17.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -231.173781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.173781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.173781 (E_RNA)
where:
Base-Base interactions energy: -157.116
where: short stacking energy: -69.887
Base-Backbone interact. energy: -0.616
local terms energy: -73.442132
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -13.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -220.897584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.897584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.897584 (E_RNA)
where:
Base-Base interactions energy: -140.398
where: short stacking energy: -77.972
Base-Backbone interact. energy: -1.089
local terms energy: -79.409941
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -14.930
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -23.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -224.832316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.832316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.832316 (E_RNA)
where:
Base-Base interactions energy: -149.787
where: short stacking energy: -58.911
Base-Backbone interact. energy: -0.545
local terms energy: -74.500838
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -10.928
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: 5, replica: 8
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -187.266853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.266853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.266853 (E_RNA)
where:
Base-Base interactions energy: -118.070
where: short stacking energy: -60.471
Base-Backbone interact. energy: -0.018
local terms energy: -69.179052
where:
bonds (distance) C4'-P energy: -11.647
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -8.670
tors. eta vs tors. theta energy: -18.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -217.830034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.830034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.830034 (E_RNA)
where:
Base-Base interactions energy: -149.927
where: short stacking energy: -54.766
Base-Backbone interact. energy: -0.439
local terms energy: -67.464422
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -13.520
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -5.773
tors. eta vs tors. theta energy: -16.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -98.741918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.741918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.741918 (E_RNA)
where:
Base-Base interactions energy: -37.006
where: short stacking energy: -37.006
Base-Backbone interact. energy: -0.067
local terms energy: -61.669209
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -15.605
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -5.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -98.021571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.021571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.021571 (E_RNA)
where:
Base-Base interactions energy: -33.235
where: short stacking energy: -32.069
Base-Backbone interact. energy: -0.322
local terms energy: -64.464768
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -17.262
flat angles P-C4'-P energy: -10.143
tors. eta vs tors. theta energy: -4.661
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: 7
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -92.024596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.024596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.024596 (E_RNA)
where:
Base-Base interactions energy: -35.766
where: short stacking energy: -34.768
Base-Backbone interact. energy: -0.467
local terms energy: -55.791210
where:
bonds (distance) C4'-P energy: -8.630
bonds (distance) P-C4' energy: -18.694
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -10.501
tors. eta vs tors. theta energy: -3.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -80.550537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.550537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.550537 (E_RNA)
where:
Base-Base interactions energy: -46.146
where: short stacking energy: -23.923
Base-Backbone interact. energy: -0.093
local terms energy: -34.310781
where:
bonds (distance) C4'-P energy: -8.540
bonds (distance) P-C4' energy: -9.364
flat angles C4'-P-C4' energy: -7.370
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: 1.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -261.500618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.500618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.500618 (E_RNA)
where:
Base-Base interactions energy: -188.064
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.355
local terms energy: -73.081327
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -16.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -210.460869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.460869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.460869 (E_RNA)
where:
Base-Base interactions energy: -130.080
where: short stacking energy: -70.183
Base-Backbone interact. energy: -0.498
local terms energy: -79.882413
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -12.528
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: 3, replica: 6
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -236.614687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.614687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.614687 (E_RNA)
where:
Base-Base interactions energy: -150.063
where: short stacking energy: -68.613
Base-Backbone interact. energy: 0.425
local terms energy: -86.976162
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -11.740
tors. eta vs tors. theta energy: -18.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -216.603737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.603737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.603737 (E_RNA)
where:
Base-Base interactions energy: -145.666
where: short stacking energy: -67.189
Base-Backbone interact. energy: -0.630
local terms energy: -70.307284
where:
bonds (distance) C4'-P energy: -16.177
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.540
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -13.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -193.805414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.805414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.805414 (E_RNA)
where:
Base-Base interactions energy: -124.655
where: short stacking energy: -60.474
Base-Backbone interact. energy: -0.036
local terms energy: -69.114723
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -12.259
flat angles P-C4'-P energy: -8.809
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -224.258306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.258306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.258306 (E_RNA)
where:
Base-Base interactions energy: -151.247
where: short stacking energy: -58.195
Base-Backbone interact. energy: -0.469
local terms energy: -72.542913
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -14.614
tors. eta vs tors. theta energy: -16.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -107.725448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.725448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.725448 (E_RNA)
where:
Base-Base interactions energy: -51.610
where: short stacking energy: -38.089
Base-Backbone interact. energy: -0.352
local terms energy: -55.763105
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -13.764
flat angles P-C4'-P energy: -9.782
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -96.698078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.698078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.698078 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -29.055
Base-Backbone interact. energy: -0.103
local terms energy: -62.133268
where:
bonds (distance) C4'-P energy: -14.771
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -15.192
flat angles P-C4'-P energy: -8.354
tors. eta vs tors. theta energy: -5.503
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: 10
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -89.406846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.406846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.406846 (E_RNA)
where:
Base-Base interactions energy: -36.059
where: short stacking energy: -31.766
Base-Backbone interact. energy: -1.575
local terms energy: -51.773451
where:
bonds (distance) C4'-P energy: -10.153
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -12.332
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -1.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -82.119938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.119938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.119938 (E_RNA)
where:
Base-Base interactions energy: -34.235
where: short stacking energy: -22.142
Base-Backbone interact. energy: 0.902
local terms energy: -48.786714
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -12.636
flat angles C4'-P-C4' energy: -12.616
flat angles P-C4'-P energy: -1.567
tors. eta vs tors. theta energy: -4.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -258.871052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.871052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.871052 (E_RNA)
where:
Base-Base interactions energy: -185.033
where: short stacking energy: -63.607
Base-Backbone interact. energy: -0.207
local terms energy: -73.630721
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -16.288
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -17.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -223.362702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.362702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.362702 (E_RNA)
where:
Base-Base interactions energy: -141.561
where: short stacking energy: -64.235
Base-Backbone interact. energy: -0.974
local terms energy: -80.827648
where:
bonds (distance) C4'-P energy: -18.832
bonds (distance) P-C4' energy: -15.311
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -22.542
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: 476
Temperature: 1.000000
Total energy: -231.519621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.519621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.519621 (E_RNA)
where:
Base-Base interactions energy: -150.638
where: short stacking energy: -68.793
Base-Backbone interact. energy: 0.109
local terms energy: -80.990565
where:
bonds (distance) C4'-P energy: -16.187
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -17.034
flat angles P-C4'-P energy: -11.945
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: 6
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -225.200114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.200114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.200114 (E_RNA)
where:
Base-Base interactions energy: -154.756
where: short stacking energy: -69.875
Base-Backbone interact. energy: -0.163
local terms energy: -70.281636
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -12.957
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -7.202
tors. eta vs tors. theta energy: -18.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -219.933426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.933426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.933426 (E_RNA)
where:
Base-Base interactions energy: -146.860
where: short stacking energy: -65.372
Base-Backbone interact. energy: 0.062
local terms energy: -73.135239
where:
bonds (distance) C4'-P energy: -15.656
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -12.419
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -17.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -167.927132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.927132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.927132 (E_RNA)
where:
Base-Base interactions energy: -98.413
where: short stacking energy: -57.898
Base-Backbone interact. energy: -0.014
local terms energy: -69.500036
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -11.828
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: 7, replica: 7
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -94.184936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.184936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.184936 (E_RNA)
where:
Base-Base interactions energy: -38.822
where: short stacking energy: -38.822
Base-Backbone interact. energy: 0.227
local terms energy: -55.589437
where:
bonds (distance) C4'-P energy: -13.744
bonds (distance) P-C4' energy: -11.586
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -8.904
tors. eta vs tors. theta energy: -4.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -87.748761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.748761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.748761 (E_RNA)
where:
Base-Base interactions energy: -34.374
where: short stacking energy: -34.374
Base-Backbone interact. energy: -0.441
local terms energy: -52.934103
where:
bonds (distance) C4'-P energy: -9.235
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -15.556
flat angles P-C4'-P energy: -7.475
tors. eta vs tors. theta energy: -6.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -88.130602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.130602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.130602 (E_RNA)
where:
Base-Base interactions energy: -37.085
where: short stacking energy: -27.672
Base-Backbone interact. energy: -0.779
local terms energy: -50.266732
where:
bonds (distance) C4'-P energy: -9.988
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -8.751
tors. eta vs tors. theta energy: 0.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -90.494972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.494972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.494972 (E_RNA)
where:
Base-Base interactions energy: -28.333
where: short stacking energy: -22.463
Base-Backbone interact. energy: -0.596
local terms energy: -61.566167
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.003
tors. eta vs tors. theta energy: -4.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -260.586656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.586656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.586656 (E_RNA)
where:
Base-Base interactions energy: -191.723
where: short stacking energy: -67.915
Base-Backbone interact. energy: -0.416
local terms energy: -68.447515
where:
bonds (distance) C4'-P energy: -17.413
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -15.111
flat angles P-C4'-P energy: -4.426
tors. eta vs tors. theta energy: -16.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -241.028433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.028433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.028433 (E_RNA)
where:
Base-Base interactions energy: -157.674
where: short stacking energy: -71.251
Base-Backbone interact. energy: -0.256
local terms energy: -83.098438
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -17.426
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -15.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -217.933988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.933988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.933988 (E_RNA)
where:
Base-Base interactions energy: -142.910
where: short stacking energy: -77.801
Base-Backbone interact. energy: -0.017
local terms energy: -75.006737
where:
bonds (distance) C4'-P energy: -16.000
bonds (distance) P-C4' energy: -9.884
flat angles C4'-P-C4' energy: -14.864
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -21.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -236.455913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.455913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.455913 (E_RNA)
where:
Base-Base interactions energy: -160.563
where: short stacking energy: -70.381
Base-Backbone interact. energy: -0.072
local terms energy: -75.820551
where:
bonds (distance) C4'-P energy: -15.263
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -15.562
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -17.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -237.061471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.061471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.061471 (E_RNA)
where:
Base-Base interactions energy: -160.021
where: short stacking energy: -65.662
Base-Backbone interact. energy: -0.476
local terms energy: -76.564492
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -17.052
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -15.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -185.010013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.010013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.010013 (E_RNA)
where:
Base-Base interactions energy: -118.495
where: short stacking energy: -53.660
Base-Backbone interact. energy: 1.877
local terms energy: -68.392419
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -10.191
tors. eta vs tors. theta energy: -10.272
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: 7, replica: 7
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -96.728465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.728465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.728465 (E_RNA)
where:
Base-Base interactions energy: -36.401
where: short stacking energy: -30.505
Base-Backbone interact. energy: -0.019
local terms energy: -60.308009
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -10.183
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -7.653
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: 8, replica: 10
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -88.687559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.687559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.687559 (E_RNA)
where:
Base-Base interactions energy: -30.956
where: short stacking energy: -30.956
Base-Backbone interact. energy: -0.164
local terms energy: -57.567583
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.618
flat angles P-C4'-P energy: -7.239
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: 3
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -94.394244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.394244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.394244 (E_RNA)
where:
Base-Base interactions energy: -41.775
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.120
local terms energy: -52.498699
where:
bonds (distance) C4'-P energy: -11.235
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -7.717
flat angles P-C4'-P energy: -9.308
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: 10, replica: 5
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -88.917809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.917809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.917809 (E_RNA)
where:
Base-Base interactions energy: -37.170
where: short stacking energy: -30.248
Base-Backbone interact. energy: -0.290
local terms energy: -51.457448
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -14.483
flat angles C4'-P-C4' energy: -11.140
flat angles P-C4'-P energy: -7.532
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -266.448564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.448564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.448564 (E_RNA)
where:
Base-Base interactions energy: -191.475
where: short stacking energy: -68.340
Base-Backbone interact. energy: -1.363
local terms energy: -73.610547
where:
bonds (distance) C4'-P energy: -16.861
bonds (distance) P-C4' energy: -18.158
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -13.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -245.250111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.250111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.250111 (E_RNA)
where:
Base-Base interactions energy: -166.597
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.274
local terms energy: -78.379148
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -16.590
flat angles P-C4'-P energy: -12.103
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: 3, replica: 6
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -235.601312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.601312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.601312 (E_RNA)
where:
Base-Base interactions energy: -156.073
where: short stacking energy: -72.636
Base-Backbone interact. energy: -0.117
local terms energy: -79.410847
where:
bonds (distance) C4'-P energy: -16.554
bonds (distance) P-C4' energy: -15.997
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -10.697
tors. eta vs tors. theta energy: -16.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -214.402429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.402429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.402429 (E_RNA)
where:
Base-Base interactions energy: -132.294
where: short stacking energy: -70.726
Base-Backbone interact. energy: -2.111
local terms energy: -79.996846
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -11.358
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: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -207.994906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.994906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.994906 (E_RNA)
where:
Base-Base interactions energy: -137.741
where: short stacking energy: -74.718
Base-Backbone interact. energy: -1.432
local terms energy: -68.821519
where:
bonds (distance) C4'-P energy: -6.618
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.430
flat angles P-C4'-P energy: -9.547
tors. eta vs tors. theta energy: -17.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -179.189592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.189592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.189592 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -61.527
Base-Backbone interact. energy: -0.193
local terms energy: -61.045777
where:
bonds (distance) C4'-P energy: -14.634
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -4.789
flat angles P-C4'-P energy: -6.750
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -98.924499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.924499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.924499 (E_RNA)
where:
Base-Base interactions energy: -46.245
where: short stacking energy: -44.530
Base-Backbone interact. energy: -0.139
local terms energy: -52.540773
where:
bonds (distance) C4'-P energy: -16.791
bonds (distance) P-C4' energy: -5.974
flat angles C4'-P-C4' energy: -15.240
flat angles P-C4'-P energy: -8.055
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: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -90.136102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.136102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.136102 (E_RNA)
where:
Base-Base interactions energy: -33.579
where: short stacking energy: -33.579
Base-Backbone interact. energy: -0.130
local terms energy: -56.427271
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -8.694
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -90.671583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.671583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.671583 (E_RNA)
where:
Base-Base interactions energy: -33.700
where: short stacking energy: -33.700
Base-Backbone interact. energy: 0.224
local terms energy: -57.195840
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -12.596
flat angles P-C4'-P energy: -8.865
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: 3
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -83.280056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.280056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.280056 (E_RNA)
where:
Base-Base interactions energy: -39.934
where: short stacking energy: -20.128
Base-Backbone interact. energy: -0.209
local terms energy: -43.137559
where:
bonds (distance) C4'-P energy: -11.560
bonds (distance) P-C4' energy: -15.627
flat angles C4'-P-C4' energy: -10.055
flat angles P-C4'-P energy: -7.151
tors. eta vs tors. theta energy: 1.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -259.608925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.608925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.608925 (E_RNA)
where:
Base-Base interactions energy: -187.861
where: short stacking energy: -68.685
Base-Backbone interact. energy: -1.771
local terms energy: -69.976360
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -13.563
flat angles C4'-P-C4' energy: -16.226
flat angles P-C4'-P energy: -11.189
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: 2, replica: 2
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -250.241154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.241154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.241154 (E_RNA)
where:
Base-Base interactions energy: -171.497
where: short stacking energy: -70.192
Base-Backbone interact. energy: -0.041
local terms energy: -78.703324
where:
bonds (distance) C4'-P energy: -15.308
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -15.698
flat angles P-C4'-P energy: -15.585
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: 3, replica: 6
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -244.483141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.483141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.483141 (E_RNA)
where:
Base-Base interactions energy: -165.533
where: short stacking energy: -78.746
Base-Backbone interact. energy: -0.248
local terms energy: -78.702741
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -6.318
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: 9
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -239.071236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.071236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.071236 (E_RNA)
where:
Base-Base interactions energy: -167.429
where: short stacking energy: -61.492
Base-Backbone interact. energy: -0.502
local terms energy: -71.139507
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -14.317
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -13.306
tors. eta vs tors. theta energy: -14.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -206.285868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.285868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.285868 (E_RNA)
where:
Base-Base interactions energy: -137.048
where: short stacking energy: -70.210
Base-Backbone interact. energy: 0.152
local terms energy: -69.390661
where:
bonds (distance) C4'-P energy: -12.800
bonds (distance) P-C4' energy: -11.239
flat angles C4'-P-C4' energy: -18.994
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -16.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -118.379381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.379381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.379381 (E_RNA)
where:
Base-Base interactions energy: -55.005
where: short stacking energy: -48.827
Base-Backbone interact. energy: -0.047
local terms energy: -63.327190
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -12.492
flat angles C4'-P-C4' energy: -10.798
flat angles P-C4'-P energy: -12.924
tors. eta vs tors. theta energy: -10.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -163.983497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.983497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.983497 (E_RNA)
where:
Base-Base interactions energy: -98.309
where: short stacking energy: -44.071
Base-Backbone interact. energy: -0.196
local terms energy: -65.478982
where:
bonds (distance) C4'-P energy: -13.881
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -15.322
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -6.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -96.192861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.192861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.192861 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -30.645
Base-Backbone interact. energy: -0.019
local terms energy: -59.298799
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -10.491
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -9.149
tors. eta vs tors. theta energy: -4.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -90.020129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.020129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.020129 (E_RNA)
where:
Base-Base interactions energy: -31.548
where: short stacking energy: -23.739
Base-Backbone interact. energy: -0.070
local terms energy: -58.402658
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -9.865
tors. eta vs tors. theta energy: -4.171
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -85.718334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.718334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.718334 (E_RNA)
where:
Base-Base interactions energy: -32.926
where: short stacking energy: -26.255
Base-Backbone interact. energy: -1.128
local terms energy: -51.664311
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: 1.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -246.336608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.336608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.336608 (E_RNA)
where:
Base-Base interactions energy: -172.002
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.080
local terms energy: -74.254739
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -15.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -253.238853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.238853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.238853 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -62.851
Base-Backbone interact. energy: -1.701
local terms energy: -65.302120
where:
bonds (distance) C4'-P energy: -11.984
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -11.641
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -15.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -230.194592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.194592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.194592 (E_RNA)
where:
Base-Base interactions energy: -173.300
where: short stacking energy: -60.621
Base-Backbone interact. energy: -0.514
local terms energy: -56.380272
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -7.285
flat angles P-C4'-P energy: -4.007
tors. eta vs tors. theta energy: -12.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -229.631926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.631926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.631926 (E_RNA)
where:
Base-Base interactions energy: -149.061
where: short stacking energy: -68.200
Base-Backbone interact. energy: -0.388
local terms energy: -80.183815
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -16.402
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -210.619954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.619954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.619954 (E_RNA)
where:
Base-Base interactions energy: -140.410
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.973
local terms energy: -69.237194
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -10.797
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -8.134
tors. eta vs tors. theta energy: -19.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -103.366916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.366916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.366916 (E_RNA)
where:
Base-Base interactions energy: -41.060
where: short stacking energy: -31.101
Base-Backbone interact. energy: -0.511
local terms energy: -61.795984
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -12.007
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: 7, replica: 8
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -170.697869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.697869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.697869 (E_RNA)
where:
Base-Base interactions energy: -110.758
where: short stacking energy: -56.450
Base-Backbone interact. energy: -0.023
local terms energy: -59.916760
where:
bonds (distance) C4'-P energy: -12.229
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -14.142
flat angles P-C4'-P energy: -9.426
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: 8, replica: 5
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -84.716982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.716982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.716982 (E_RNA)
where:
Base-Base interactions energy: -28.411
where: short stacking energy: -28.411
Base-Backbone interact. energy: -0.103
local terms energy: -56.203091
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -13.218
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: 9, replica: 3
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -90.283021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.283021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.283021 (E_RNA)
where:
Base-Base interactions energy: -40.066
where: short stacking energy: -35.543
Base-Backbone interact. energy: -0.448
local terms energy: -49.769487
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -14.914
flat angles C4'-P-C4' energy: -10.942
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -2.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -73.299522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -73.299522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -73.299522 (E_RNA)
where:
Base-Base interactions energy: -15.461
where: short stacking energy: -13.120
Base-Backbone interact. energy: -0.137
local terms energy: -57.701647
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -16.819
flat angles C4'-P-C4' energy: -16.892
flat angles P-C4'-P energy: -8.056
tors. eta vs tors. theta energy: -1.988
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: 1, replica: 2
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -253.802977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.802977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.802977 (E_RNA)
where:
Base-Base interactions energy: -181.190
where: short stacking energy: -77.007
Base-Backbone interact. energy: 0.751
local terms energy: -73.364056
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -9.390
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: 2, replica: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -269.386710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.386710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.386710 (E_RNA)
where:
Base-Base interactions energy: -190.954
where: short stacking energy: -72.219
Base-Backbone interact. energy: 0.806
local terms energy: -79.238635
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -14.947
flat angles P-C4'-P energy: -12.243
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: 3, replica: 9
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -233.776353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.776353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.776353 (E_RNA)
where:
Base-Base interactions energy: -163.200
where: short stacking energy: -65.733
Base-Backbone interact. energy: -1.224
local terms energy: -69.351530
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -10.012
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: 6
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -236.584315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.584315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.584315 (E_RNA)
where:
Base-Base interactions energy: -156.273
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.092
local terms energy: -80.219398
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -18.140
flat angles C4'-P-C4' energy: -16.093
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -16.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -195.690691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.690691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.690691 (E_RNA)
where:
Base-Base interactions energy: -122.950
where: short stacking energy: -62.007
Base-Backbone interact. energy: -0.415
local terms energy: -72.325308
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -10.943
flat angles C4'-P-C4' energy: -16.645
flat angles P-C4'-P energy: -13.776
tors. eta vs tors. theta energy: -17.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -168.648858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.648858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.648858 (E_RNA)
where:
Base-Base interactions energy: -101.686
where: short stacking energy: -43.205
Base-Backbone interact. energy: -0.897
local terms energy: -66.065474
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -15.692
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -10.225
tors. eta vs tors. theta energy: -11.368
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: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -134.226881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.226881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.226881 (E_RNA)
where:
Base-Base interactions energy: -73.117
where: short stacking energy: -42.184
Base-Backbone interact. energy: -0.305
local terms energy: -60.804708
where:
bonds (distance) C4'-P energy: -13.409
bonds (distance) P-C4' energy: -16.370
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -9.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -88.698095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.698095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.698095 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -38.962
Base-Backbone interact. energy: -0.331
local terms energy: -45.813581
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -11.844
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -6.942
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -91.296105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.296105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.296105 (E_RNA)
where:
Base-Base interactions energy: -32.979
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.430
local terms energy: -57.887572
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -15.584
flat angles P-C4'-P energy: -10.533
tors. eta vs tors. theta energy: -5.362
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -93.882881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.882881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.882881 (E_RNA)
where:
Base-Base interactions energy: -44.764
where: short stacking energy: -22.304
Base-Backbone interact. energy: -0.131
local terms energy: -48.987530
where:
bonds (distance) C4'-P energy: -15.759
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -2.294
tors. eta vs tors. theta energy: -4.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -263.266993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.266993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.266993 (E_RNA)
where:
Base-Base interactions energy: -186.518
where: short stacking energy: -65.720
Base-Backbone interact. energy: -0.666
local terms energy: -76.083452
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -12.589
flat angles C4'-P-C4' energy: -18.654
flat angles P-C4'-P energy: -12.450
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: 2
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -255.734354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.734354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.734354 (E_RNA)
where:
Base-Base interactions energy: -175.838
where: short stacking energy: -81.382
Base-Backbone interact. energy: 0.314
local terms energy: -80.210649
where:
bonds (distance) C4'-P energy: -13.322
bonds (distance) P-C4' energy: -17.437
flat angles C4'-P-C4' energy: -16.427
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -18.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -237.392913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.392913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.392913 (E_RNA)
where:
Base-Base interactions energy: -161.683
where: short stacking energy: -67.948
Base-Backbone interact. energy: 0.048
local terms energy: -75.758326
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -18.722
flat angles C4'-P-C4' energy: -16.979
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -229.210320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.210320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.210320 (E_RNA)
where:
Base-Base interactions energy: -164.345
where: short stacking energy: -63.955
Base-Backbone interact. energy: -0.065
local terms energy: -64.800308
where:
bonds (distance) C4'-P energy: -12.038
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -12.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -183.289871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.289871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.289871 (E_RNA)
where:
Base-Base interactions energy: -109.911
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.355
local terms energy: -73.023953
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -16.639
flat angles C4'-P-C4' energy: -17.596
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -13.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -181.851451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.851451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.851451 (E_RNA)
where:
Base-Base interactions energy: -112.592
where: short stacking energy: -59.423
Base-Backbone interact. energy: 0.854
local terms energy: -70.113646
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -9.809
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -15.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -109.154435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.154435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.154435 (E_RNA)
where:
Base-Base interactions energy: -58.299
where: short stacking energy: -30.227
Base-Backbone interact. energy: -0.447
local terms energy: -50.409115
where:
bonds (distance) C4'-P energy: -9.756
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -13.627
flat angles P-C4'-P energy: -7.313
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -99.256568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.256568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.256568 (E_RNA)
where:
Base-Base interactions energy: -29.692
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.113
local terms energy: -69.451752
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -6.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -86.146934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.146934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.146934 (E_RNA)
where:
Base-Base interactions energy: -36.650
where: short stacking energy: -33.950
Base-Backbone interact. energy: -0.704
local terms energy: -48.792832
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -6.153
tors. eta vs tors. theta energy: -1.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -89.012938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.012938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.012938 (E_RNA)
where:
Base-Base interactions energy: -37.045
where: short stacking energy: -34.327
Base-Backbone interact. energy: -0.141
local terms energy: -51.827598
where:
bonds (distance) C4'-P energy: -17.175
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -4.396
tors. eta vs tors. theta energy: 3.293
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: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -261.134027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.134027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.134027 (E_RNA)
where:
Base-Base interactions energy: -190.197
where: short stacking energy: -67.091
Base-Backbone interact. energy: -1.598
local terms energy: -69.338909
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -14.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -241.074512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.074512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.074512 (E_RNA)
where:
Base-Base interactions energy: -170.323
where: short stacking energy: -71.818
Base-Backbone interact. energy: 0.250
local terms energy: -71.000953
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.570
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -11.279
tors. eta vs tors. theta energy: -17.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -240.212520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.212520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.212520 (E_RNA)
where:
Base-Base interactions energy: -162.585
where: short stacking energy: -74.783
Base-Backbone interact. energy: -0.314
local terms energy: -77.312864
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -10.112
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -233.991617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.991617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.991617 (E_RNA)
where:
Base-Base interactions energy: -158.421
where: short stacking energy: -65.412
Base-Backbone interact. energy: -0.389
local terms energy: -75.181099
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -12.124
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -14.556
tors. eta vs tors. theta energy: -15.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -173.894476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.894476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.894476 (E_RNA)
where:
Base-Base interactions energy: -107.821
where: short stacking energy: -59.412
Base-Backbone interact. energy: -0.266
local terms energy: -65.807513
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -8.495
tors. eta vs tors. theta energy: -13.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -190.895926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.895926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.895926 (E_RNA)
where:
Base-Base interactions energy: -116.106
where: short stacking energy: -57.540
Base-Backbone interact. energy: -0.113
local terms energy: -74.677313
where:
bonds (distance) C4'-P energy: -14.688
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -16.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -105.448870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.448870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.448870 (E_RNA)
where:
Base-Base interactions energy: -42.366
where: short stacking energy: -26.196
Base-Backbone interact. energy: -0.451
local terms energy: -62.632424
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -7.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -115.863153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.863153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.863153 (E_RNA)
where:
Base-Base interactions energy: -61.554
where: short stacking energy: -32.815
Base-Backbone interact. energy: -0.596
local terms energy: -53.712691
where:
bonds (distance) C4'-P energy: -12.316
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -9.060
flat angles P-C4'-P energy: -6.573
tors. eta vs tors. theta energy: -7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -91.340399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.340399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.340399 (E_RNA)
where:
Base-Base interactions energy: -32.893
where: short stacking energy: -32.189
Base-Backbone interact. energy: -0.224
local terms energy: -58.222788
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -5.906
tors. eta vs tors. theta energy: -11.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -88.817583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.817583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.817583 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -30.112
Base-Backbone interact. energy: 0.737
local terms energy: -52.833533
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -14.873
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -4.855
tors. eta vs tors. theta energy: -5.672
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: 6
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -248.858199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.858199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.858199 (E_RNA)
where:
Base-Base interactions energy: -169.849
where: short stacking energy: -74.597
Base-Backbone interact. energy: -0.359
local terms energy: -78.650067
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.633
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -10.849
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: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -257.914292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.914292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.914292 (E_RNA)
where:
Base-Base interactions energy: -192.229
where: short stacking energy: -65.630
Base-Backbone interact. energy: -1.203
local terms energy: -64.482796
where:
bonds (distance) C4'-P energy: -10.386
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -222.755657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.755657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.755657 (E_RNA)
where:
Base-Base interactions energy: -145.039
where: short stacking energy: -59.890
Base-Backbone interact. energy: -0.581
local terms energy: -77.135504
where:
bonds (distance) C4'-P energy: -16.282
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -11.496
tors. eta vs tors. theta energy: -15.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -237.279177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.279177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.279177 (E_RNA)
where:
Base-Base interactions energy: -161.575
where: short stacking energy: -67.476
Base-Backbone interact. energy: -0.291
local terms energy: -75.413176
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -14.952
flat angles C4'-P-C4' energy: -15.026
flat angles P-C4'-P energy: -7.558
tors. eta vs tors. theta energy: -19.690
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: 8
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -187.530329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.530329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.530329 (E_RNA)
where:
Base-Base interactions energy: -124.824
where: short stacking energy: -48.350
Base-Backbone interact. energy: -0.445
local terms energy: -62.260723
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -11.074
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -8.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -172.133200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.133200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.133200 (E_RNA)
where:
Base-Base interactions energy: -110.803
where: short stacking energy: -44.941
Base-Backbone interact. energy: -0.413
local terms energy: -60.917167
where:
bonds (distance) C4'-P energy: -13.479
bonds (distance) P-C4' energy: -9.829
flat angles C4'-P-C4' energy: -15.087
flat angles P-C4'-P energy: -8.119
tors. eta vs tors. theta energy: -14.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -102.280366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.280366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.280366 (E_RNA)
where:
Base-Base interactions energy: -55.275
where: short stacking energy: -20.615
Base-Backbone interact. energy: 0.265
local terms energy: -47.269645
where:
bonds (distance) C4'-P energy: -11.744
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -2.227
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -88.826578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.826578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.826578 (E_RNA)
where:
Base-Base interactions energy: -34.357
where: short stacking energy: -28.263
Base-Backbone interact. energy: 0.010
local terms energy: -54.479053
where:
bonds (distance) C4'-P energy: -15.184
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -11.850
flat angles P-C4'-P energy: -12.156
tors. eta vs tors. theta energy: 1.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -90.993081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993081 (E_RNA)
where:
Base-Base interactions energy: -37.408
where: short stacking energy: -29.551
Base-Backbone interact. energy: -0.109
local terms energy: -53.476151
where:
bonds (distance) C4'-P energy: -14.998
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -3.252
tors. eta vs tors. theta energy: -7.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -86.522981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.522981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.522981 (E_RNA)
where:
Base-Base interactions energy: -26.993
where: short stacking energy: -23.090
Base-Backbone interact. energy: -0.089
local terms energy: -59.441029
where:
bonds (distance) C4'-P energy: -10.226
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -16.221
flat angles P-C4'-P energy: -11.325
tors. eta vs tors. theta energy: -6.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -256.549732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.549732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.549732 (E_RNA)
where:
Base-Base interactions energy: -177.571
where: short stacking energy: -72.338
Base-Backbone interact. energy: -0.546
local terms energy: -78.433329
where:
bonds (distance) C4'-P energy: -15.590
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -15.348
flat angles P-C4'-P energy: -8.687
tors. eta vs tors. theta energy: -20.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -234.093124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.093124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.093124 (E_RNA)
where:
Base-Base interactions energy: -154.644
where: short stacking energy: -66.420
Base-Backbone interact. energy: -1.607
local terms energy: -77.841550
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -17.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -257.337203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.337203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.337203 (E_RNA)
where:
Base-Base interactions energy: -190.373
where: short stacking energy: -59.806
Base-Backbone interact. energy: -1.414
local terms energy: -65.550002
where:
bonds (distance) C4'-P energy: -11.396
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -14.032
flat angles P-C4'-P energy: -10.947
tors. eta vs tors. theta energy: -13.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -237.069512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.069512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.069512 (E_RNA)
where:
Base-Base interactions energy: -159.233
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.775
local terms energy: -77.061120
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -8.886
tors. eta vs tors. theta energy: -17.261
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: 485
Temperature: 1.100000
Total energy: -170.955654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.955654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.955654 (E_RNA)
where:
Base-Base interactions energy: -112.638
where: short stacking energy: -53.003
Base-Backbone interact. energy: -0.328
local terms energy: -57.989054
where:
bonds (distance) C4'-P energy: -7.155
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -12.111
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -10.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -169.615602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.615602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.615602 (E_RNA)
where:
Base-Base interactions energy: -93.568
where: short stacking energy: -39.406
Base-Backbone interact. energy: -1.180
local terms energy: -74.867301
where:
bonds (distance) C4'-P energy: -17.569
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -13.183
tors. eta vs tors. theta energy: -6.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -139.321155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.321155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.321155 (E_RNA)
where:
Base-Base interactions energy: -80.732
where: short stacking energy: -41.330
Base-Backbone interact. energy: -0.321
local terms energy: -58.268412
where:
bonds (distance) C4'-P energy: -12.928
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -7.088
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: 485
Temperature: 1.250000
Total energy: -92.574130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.574130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.574130 (E_RNA)
where:
Base-Base interactions energy: -30.299
where: short stacking energy: -29.786
Base-Backbone interact. energy: -0.035
local terms energy: -62.239204
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -9.532
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: 7
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -99.704574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.704574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.704574 (E_RNA)
where:
Base-Base interactions energy: -46.067
where: short stacking energy: -38.950
Base-Backbone interact. energy: -0.042
local terms energy: -53.595946
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -10.475
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -11.327
tors. eta vs tors. theta energy: -7.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -77.644860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.644860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.644860 (E_RNA)
where:
Base-Base interactions energy: -31.140
where: short stacking energy: -31.140
Base-Backbone interact. energy: 0.522
local terms energy: -47.027175
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -12.494
flat angles P-C4'-P energy: -5.736
tors. eta vs tors. theta energy: 1.387
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: 6
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -246.382832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.382832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.382832 (E_RNA)
where:
Base-Base interactions energy: -171.304
where: short stacking energy: -66.258
Base-Backbone interact. energy: -0.625
local terms energy: -74.453938
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -15.080
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -15.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -226.114889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.114889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.114889 (E_RNA)
where:
Base-Base interactions energy: -141.526
where: short stacking energy: -66.875
Base-Backbone interact. energy: -0.184
local terms energy: -84.405148
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -16.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -239.837771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.837771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.837771 (E_RNA)
where:
Base-Base interactions energy: -168.010
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.223
local terms energy: -71.604916
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -10.391
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: 2
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -231.429898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.429898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.429898 (E_RNA)
where:
Base-Base interactions energy: -158.931
where: short stacking energy: -78.913
Base-Backbone interact. energy: -1.147
local terms energy: -71.351830
where:
bonds (distance) C4'-P energy: -10.034
bonds (distance) P-C4' energy: -19.228
flat angles C4'-P-C4' energy: -10.620
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -18.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -168.378175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.378175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.378175 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -48.155
Base-Backbone interact. energy: -1.410
local terms energy: -72.392967
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -16.838
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -8.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -160.702138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.702138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.702138 (E_RNA)
where:
Base-Base interactions energy: -100.299
where: short stacking energy: -50.018
Base-Backbone interact. energy: -0.673
local terms energy: -59.729944
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -10.851
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -11.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -127.288354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.288354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.288354 (E_RNA)
where:
Base-Base interactions energy: -67.949
where: short stacking energy: -43.333
Base-Backbone interact. energy: -0.135
local terms energy: -59.204952
where:
bonds (distance) C4'-P energy: -16.914
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -11.302
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -7.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -86.124802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.124802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.124802 (E_RNA)
where:
Base-Base interactions energy: -28.884
where: short stacking energy: -28.884
Base-Backbone interact. energy: 0.595
local terms energy: -57.836184
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -13.235
flat angles C4'-P-C4' energy: -15.454
flat angles P-C4'-P energy: -10.202
tors. eta vs tors. theta energy: -4.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -93.607098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.607098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.607098 (E_RNA)
where:
Base-Base interactions energy: -42.098
where: short stacking energy: -27.446
Base-Backbone interact. energy: -0.575
local terms energy: -50.933865
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -15.350
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -6.304
tors. eta vs tors. theta energy: -3.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -87.963941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963941 (E_RNA)
where:
Base-Base interactions energy: -36.360
where: short stacking energy: -34.357
Base-Backbone interact. energy: -0.207
local terms energy: -51.397099
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -4.919
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: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -247.554271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.554271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.554271 (E_RNA)
where:
Base-Base interactions energy: -166.220
where: short stacking energy: -71.360
Base-Backbone interact. energy: 0.947
local terms energy: -82.280734
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -17.392
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -17.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -248.587280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.587280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.587280 (E_RNA)
where:
Base-Base interactions energy: -170.837
where: short stacking energy: -63.973
Base-Backbone interact. energy: -1.381
local terms energy: -76.368888
where:
bonds (distance) C4'-P energy: -12.083
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -16.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -230.928182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.928182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.928182 (E_RNA)
where:
Base-Base interactions energy: -159.143
where: short stacking energy: -69.187
Base-Backbone interact. energy: -0.162
local terms energy: -71.623131
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -13.842
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -10.154
tors. eta vs tors. theta energy: -18.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -238.825129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.825129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.825129 (E_RNA)
where:
Base-Base interactions energy: -159.672
where: short stacking energy: -77.900
Base-Backbone interact. energy: -1.821
local terms energy: -77.332365
where:
bonds (distance) C4'-P energy: -12.355
bonds (distance) P-C4' energy: -14.949
flat angles C4'-P-C4' energy: -18.615
flat angles P-C4'-P energy: -9.596
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: 5, replica: 8
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -198.535354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.535354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.535354 (E_RNA)
where:
Base-Base interactions energy: -132.550
where: short stacking energy: -40.549
Base-Backbone interact. energy: -0.386
local terms energy: -65.598832
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -3.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -183.592599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.592599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.592599 (E_RNA)
where:
Base-Base interactions energy: -121.677
where: short stacking energy: -54.130
Base-Backbone interact. energy: -0.392
local terms energy: -61.523744
where:
bonds (distance) C4'-P energy: -13.491
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -7.769
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -111.781995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.781995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.781995 (E_RNA)
where:
Base-Base interactions energy: -52.203
where: short stacking energy: -39.805
Base-Backbone interact. energy: 0.922
local terms energy: -60.500954
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -13.750
flat angles P-C4'-P energy: -9.949
tors. eta vs tors. theta energy: -8.276
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: 5
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -96.144257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.144257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.144257 (E_RNA)
where:
Base-Base interactions energy: -40.290
where: short stacking energy: -40.290
Base-Backbone interact. energy: -0.121
local terms energy: -55.733177
where:
bonds (distance) C4'-P energy: -9.104
bonds (distance) P-C4' energy: -15.066
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -9.220
tors. eta vs tors. theta energy: -8.691
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: 3
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -94.495265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.495265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.495265 (E_RNA)
where:
Base-Base interactions energy: -39.415
where: short stacking energy: -33.321
Base-Backbone interact. energy: -0.055
local terms energy: -55.025448
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -10.888
flat angles P-C4'-P energy: -11.173
tors. eta vs tors. theta energy: -4.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -88.934936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.934936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.934936 (E_RNA)
where:
Base-Base interactions energy: -41.792
where: short stacking energy: -34.138
Base-Backbone interact. energy: 0.121
local terms energy: -47.264139
where:
bonds (distance) C4'-P energy: -9.272
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -9.367
flat angles P-C4'-P energy: -9.402
tors. eta vs tors. theta energy: -4.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -246.469637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.469637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.469637 (E_RNA)
where:
Base-Base interactions energy: -169.093
where: short stacking energy: -69.680
Base-Backbone interact. energy: 1.582
local terms energy: -78.958042
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -18.820
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -16.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -248.512199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.512199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.512199 (E_RNA)
where:
Base-Base interactions energy: -170.070
where: short stacking energy: -57.484
Base-Backbone interact. energy: -1.095
local terms energy: -77.347272
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.712
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -14.656
tors. eta vs tors. theta energy: -11.879
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: 2
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -239.093504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.093504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.093504 (E_RNA)
where:
Base-Base interactions energy: -154.291
where: short stacking energy: -69.801
Base-Backbone interact. energy: -0.393
local terms energy: -84.409538
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -17.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -222.728716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.728716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.728716 (E_RNA)
where:
Base-Base interactions energy: -151.409
where: short stacking energy: -50.482
Base-Backbone interact. energy: -0.003
local terms energy: -71.316529
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.712
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: 5, replica: 8
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -200.159180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.159180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.159180 (E_RNA)
where:
Base-Base interactions energy: -136.732
where: short stacking energy: -53.337
Base-Backbone interact. energy: -0.662
local terms energy: -62.765566
where:
bonds (distance) C4'-P energy: -12.737
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -9.354
tors. eta vs tors. theta energy: -9.091
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: 488
Temperature: 1.150000
Total energy: -191.257118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.257118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.257118 (E_RNA)
where:
Base-Base interactions energy: -139.868
where: short stacking energy: -53.898
Base-Backbone interact. energy: -0.102
local terms energy: -51.287964
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -13.454
flat angles C4'-P-C4' energy: -10.675
flat angles P-C4'-P energy: -7.111
tors. eta vs tors. theta energy: -8.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -100.329961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.329961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.329961 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.247
local terms energy: -65.764405
where:
bonds (distance) C4'-P energy: -13.215
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -7.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -87.530114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.530114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.530114 (E_RNA)
where:
Base-Base interactions energy: -33.517
where: short stacking energy: -33.517
Base-Backbone interact. energy: -0.071
local terms energy: -53.941588
where:
bonds (distance) C4'-P energy: -16.443
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -1.998
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: 7
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -96.209677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.209677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.209677 (E_RNA)
where:
Base-Base interactions energy: -35.447
where: short stacking energy: -25.090
Base-Backbone interact. energy: -1.013
local terms energy: -59.749633
where:
bonds (distance) C4'-P energy: -15.462
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -11.048
flat angles P-C4'-P energy: -11.433
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: 10, replica: 3
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -84.541404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.541404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.541404 (E_RNA)
where:
Base-Base interactions energy: -34.213
where: short stacking energy: -18.793
Base-Backbone interact. energy: 0.625
local terms energy: -50.953365
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -11.699
flat angles P-C4'-P energy: -4.117
tors. eta vs tors. theta energy: -0.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -244.626344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.626344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.626344 (E_RNA)
where:
Base-Base interactions energy: -170.947
where: short stacking energy: -73.685
Base-Backbone interact. energy: -0.510
local terms energy: -73.169602
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -13.086
flat angles C4'-P-C4' energy: -16.329
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -14.580
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: 2, replica: 4
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -248.869648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.869648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.869648 (E_RNA)
where:
Base-Base interactions energy: -174.593
where: short stacking energy: -69.423
Base-Backbone interact. energy: -0.117
local terms energy: -74.159621
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -16.450
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: -12.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -239.317575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.317575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.317575 (E_RNA)
where:
Base-Base interactions energy: -159.796
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.231
local terms energy: -79.291473
where:
bonds (distance) C4'-P energy: -12.975
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -11.932
tors. eta vs tors. theta energy: -20.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -205.394860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.394860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.394860 (E_RNA)
where:
Base-Base interactions energy: -137.933
where: short stacking energy: -63.534
Base-Backbone interact. energy: -0.238
local terms energy: -67.224177
where:
bonds (distance) C4'-P energy: -14.418
bonds (distance) P-C4' energy: -14.982
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -12.183
tors. eta vs tors. theta energy: -10.732
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: 5, replica: 9
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -214.663503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.663503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.663503 (E_RNA)
where:
Base-Base interactions energy: -151.746
where: short stacking energy: -59.263
Base-Backbone interact. energy: 0.177
local terms energy: -63.095166
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -15.588
flat angles P-C4'-P energy: -6.033
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: 6, replica: 1
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -193.581917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.581917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.581917 (E_RNA)
where:
Base-Base interactions energy: -130.279
where: short stacking energy: -57.500
Base-Backbone interact. energy: 1.881
local terms energy: -65.183846
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -9.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -99.056105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.056105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.056105 (E_RNA)
where:
Base-Base interactions energy: -38.765
where: short stacking energy: -38.765
Base-Backbone interact. energy: -0.100
local terms energy: -60.191840
where:
bonds (distance) C4'-P energy: -12.255
bonds (distance) P-C4' energy: -13.571
flat angles C4'-P-C4' energy: -16.712
flat angles P-C4'-P energy: -8.160
tors. eta vs tors. theta energy: -9.494
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: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -91.492074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.492074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.492074 (E_RNA)
where:
Base-Base interactions energy: -34.123
where: short stacking energy: -33.709
Base-Backbone interact. energy: -0.140
local terms energy: -57.229378
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -8.368
tors. eta vs tors. theta energy: -4.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -100.652556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.652556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.652556 (E_RNA)
where:
Base-Base interactions energy: -37.931
where: short stacking energy: -28.477
Base-Backbone interact. energy: -0.702
local terms energy: -62.019823
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -13.491
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -9.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -83.262004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.262004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.262004 (E_RNA)
where:
Base-Base interactions energy: -30.360
where: short stacking energy: -30.335
Base-Backbone interact. energy: 1.806
local terms energy: -54.707938
where:
bonds (distance) C4'-P energy: -12.568
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -14.406
flat angles P-C4'-P energy: -8.139
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -249.609974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.609974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.609974 (E_RNA)
where:
Base-Base interactions energy: -174.083
where: short stacking energy: -63.446
Base-Backbone interact. energy: -0.528
local terms energy: -74.999181
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: -14.158
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: 4
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -259.722860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.722860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.722860 (E_RNA)
where:
Base-Base interactions energy: -189.287
where: short stacking energy: -56.677
Base-Backbone interact. energy: -2.039
local terms energy: -68.397076
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -10.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -237.982571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.982571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.982571 (E_RNA)
where:
Base-Base interactions energy: -160.936
where: short stacking energy: -72.393
Base-Backbone interact. energy: -0.165
local terms energy: -76.881729
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -10.351
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -19.289
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: 8
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -205.585822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.585822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.585822 (E_RNA)
where:
Base-Base interactions energy: -141.725
where: short stacking energy: -57.277
Base-Backbone interact. energy: -0.650
local terms energy: -63.211713
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -227.443906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.443906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.443906 (E_RNA)
where:
Base-Base interactions energy: -150.100
where: short stacking energy: -69.945
Base-Backbone interact. energy: -0.949
local terms energy: -76.395530
where:
bonds (distance) C4'-P energy: -15.785
bonds (distance) P-C4' energy: -14.765
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -16.405
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: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -205.368618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.368618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.368618 (E_RNA)
where:
Base-Base interactions energy: -139.480
where: short stacking energy: -62.584
Base-Backbone interact. energy: -0.710
local terms energy: -65.178551
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -12.343
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -11.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -93.590487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.590487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.590487 (E_RNA)
where:
Base-Base interactions energy: -41.584
where: short stacking energy: -38.175
Base-Backbone interact. energy: -0.112
local terms energy: -51.894335
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -7.500
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.422
tors. eta vs tors. theta energy: -7.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -98.678531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.678531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.678531 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -37.707
Base-Backbone interact. energy: -0.015
local terms energy: -60.957229
where:
bonds (distance) C4'-P energy: -12.303
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -14.877
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -11.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -87.600441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.600441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.600441 (E_RNA)
where:
Base-Base interactions energy: -25.937
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.212
local terms energy: -61.451810
where:
bonds (distance) C4'-P energy: -12.244
bonds (distance) P-C4' energy: -19.056
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -13.736
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -87.452062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.452062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.452062 (E_RNA)
where:
Base-Base interactions energy: -30.097
where: short stacking energy: -27.808
Base-Backbone interact. energy: 0.110
local terms energy: -57.465759
where:
bonds (distance) C4'-P energy: -16.749
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -13.419
flat angles P-C4'-P energy: -11.719
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: 1, replica: 6
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -246.403023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.403023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.403023 (E_RNA)
where:
Base-Base interactions energy: -168.803
where: short stacking energy: -67.577
Base-Backbone interact. energy: -0.369
local terms energy: -77.230543
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -18.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -246.442811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.442811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.442811 (E_RNA)
where:
Base-Base interactions energy: -165.894
where: short stacking energy: -74.576
Base-Backbone interact. energy: -0.204
local terms energy: -80.344621
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.732
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -18.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -242.764653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.764653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.764653 (E_RNA)
where:
Base-Base interactions energy: -171.907
where: short stacking energy: -65.725
Base-Backbone interact. energy: -1.110
local terms energy: -69.747935
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -14.262
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: 9
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -218.522284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.522284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.522284 (E_RNA)
where:
Base-Base interactions energy: -147.428
where: short stacking energy: -59.808
Base-Backbone interact. energy: -0.049
local terms energy: -71.045755
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -16.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -179.850104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.850104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.850104 (E_RNA)
where:
Base-Base interactions energy: -113.750
where: short stacking energy: -48.836
Base-Backbone interact. energy: -0.927
local terms energy: -65.173183
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -13.713
flat angles P-C4'-P energy: -5.629
tors. eta vs tors. theta energy: -11.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -181.210005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.210005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.210005 (E_RNA)
where:
Base-Base interactions energy: -120.716
where: short stacking energy: -49.521
Base-Backbone interact. energy: -0.199
local terms energy: -60.295133
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -14.317
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -8.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -96.941759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.941759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.941759 (E_RNA)
where:
Base-Base interactions energy: -30.339
where: short stacking energy: -23.276
Base-Backbone interact. energy: -0.056
local terms energy: -66.547273
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.159
flat angles P-C4'-P energy: -14.722
tors. eta vs tors. theta energy: -4.648
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: 7
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -100.521080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.521080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.521080 (E_RNA)
where:
Base-Base interactions energy: -37.609
where: short stacking energy: -37.609
Base-Backbone interact. energy: -0.103
local terms energy: -62.808492
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -14.196
flat angles P-C4'-P energy: -6.670
tors. eta vs tors. theta energy: -9.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -84.629266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.629266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.629266 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -37.840
Base-Backbone interact. energy: 1.296
local terms energy: -48.034192
where:
bonds (distance) C4'-P energy: -10.336
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -10.544
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: 10, replica: 3
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -79.298318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.298318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.298318 (E_RNA)
where:
Base-Base interactions energy: -27.722
where: short stacking energy: -28.322
Base-Backbone interact. energy: -0.134
local terms energy: -51.441615
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -9.472
flat angles C4'-P-C4' energy: -13.311
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -6.690
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: 2
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -242.345943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.345943 (E_RNA)
where:
Base-Base interactions energy: -165.736
where: short stacking energy: -72.290
Base-Backbone interact. energy: -0.339
local terms energy: -76.271182
where:
bonds (distance) C4'-P energy: -17.390
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -13.423
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: -18.857
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: 6
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -236.340709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.340709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.340709 (E_RNA)
where:
Base-Base interactions energy: -161.779
where: short stacking energy: -73.498
Base-Backbone interact. energy: -0.193
local terms energy: -74.368225
where:
bonds (distance) C4'-P energy: -14.480
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -11.581
flat angles P-C4'-P energy: -15.735
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: 3, replica: 9
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -238.257198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.257198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.257198 (E_RNA)
where:
Base-Base interactions energy: -164.705
where: short stacking energy: -68.914
Base-Backbone interact. energy: -0.038
local terms energy: -73.514157
where:
bonds (distance) C4'-P energy: -15.296
bonds (distance) P-C4' energy: -11.994
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -18.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -236.754996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.754996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.754996 (E_RNA)
where:
Base-Base interactions energy: -173.941
where: short stacking energy: -66.574
Base-Backbone interact. energy: 0.911
local terms energy: -63.724985
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -5.981
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: 5, replica: 8
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -194.225701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.225701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.225701 (E_RNA)
where:
Base-Base interactions energy: -133.416
where: short stacking energy: -51.566
Base-Backbone interact. energy: -0.678
local terms energy: -60.132547
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -7.667
tors. eta vs tors. theta energy: -8.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -138.739655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.739655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.739655 (E_RNA)
where:
Base-Base interactions energy: -69.665
where: short stacking energy: -33.301
Base-Backbone interact. energy: -0.404
local terms energy: -68.670842
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -7.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -80.607996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.607996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.607996 (E_RNA)
where:
Base-Base interactions energy: -32.498
where: short stacking energy: -23.879
Base-Backbone interact. energy: -0.040
local terms energy: -48.070040
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -6.564
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: 2.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -92.981910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.981910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.981910 (E_RNA)
where:
Base-Base interactions energy: -38.420
where: short stacking energy: -25.073
Base-Backbone interact. energy: 0.324
local terms energy: -54.885401
where:
bonds (distance) C4'-P energy: -14.410
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -0.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -85.943632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.943632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.943632 (E_RNA)
where:
Base-Base interactions energy: -31.983
where: short stacking energy: -25.109
Base-Backbone interact. energy: -0.647
local terms energy: -53.314060
where:
bonds (distance) C4'-P energy: -14.294
bonds (distance) P-C4' energy: -15.059
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -2.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -89.031631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.031631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.031631 (E_RNA)
where:
Base-Base interactions energy: -35.476
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.516
local terms energy: -53.039077
where:
bonds (distance) C4'-P energy: -10.077
bonds (distance) P-C4' energy: -14.271
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -11.693
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -241.404741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.404741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.404741 (E_RNA)
where:
Base-Base interactions energy: -161.278
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.098
local terms energy: -80.027968
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -17.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -236.027337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.027337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.027337 (E_RNA)
where:
Base-Base interactions energy: -159.973
where: short stacking energy: -55.819
Base-Backbone interact. energy: -0.221
local terms energy: -75.833281
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -16.397
flat angles C4'-P-C4' energy: -18.452
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -13.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -232.208507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.208507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.208507 (E_RNA)
where:
Base-Base interactions energy: -155.816
where: short stacking energy: -61.140
Base-Backbone interact. energy: -0.092
local terms energy: -76.300705
where:
bonds (distance) C4'-P energy: -17.457
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -15.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -232.484998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.484998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.484998 (E_RNA)
where:
Base-Base interactions energy: -160.436
where: short stacking energy: -62.990
Base-Backbone interact. energy: -0.463
local terms energy: -71.586095
where:
bonds (distance) C4'-P energy: -10.494
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -13.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -181.801219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.801219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.801219 (E_RNA)
where:
Base-Base interactions energy: -122.024
where: short stacking energy: -49.097
Base-Backbone interact. energy: -0.579
local terms energy: -59.197769
where:
bonds (distance) C4'-P energy: -14.134
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -6.485
tors. eta vs tors. theta energy: -5.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -154.483231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.483231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.483231 (E_RNA)
where:
Base-Base interactions energy: -85.125
where: short stacking energy: -44.121
Base-Backbone interact. energy: 0.229
local terms energy: -69.587128
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -102.545966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.545966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.545966 (E_RNA)
where:
Base-Base interactions energy: -36.721
where: short stacking energy: -26.698
Base-Backbone interact. energy: -0.132
local terms energy: -65.693349
where:
bonds (distance) C4'-P energy: -14.167
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -4.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -89.232897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.232897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.232897 (E_RNA)
where:
Base-Base interactions energy: -43.817
where: short stacking energy: -24.059
Base-Backbone interact. energy: -0.038
local terms energy: -45.378469
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -6.534
flat angles P-C4'-P energy: -6.951
tors. eta vs tors. theta energy: -2.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -94.439408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.439408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.439408 (E_RNA)
where:
Base-Base interactions energy: -42.387
where: short stacking energy: -29.113
Base-Backbone interact. energy: -0.497
local terms energy: -51.555226
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -7.897
flat angles P-C4'-P energy: -7.814
tors. eta vs tors. theta energy: -2.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 5
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -83.191478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191478 (E_RNA)
where:
Base-Base interactions energy: -22.822
where: short stacking energy: -21.842
Base-Backbone interact. energy: 0.954
local terms energy: -61.323664
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.488
flat angles P-C4'-P energy: -11.604
tors. eta vs tors. theta energy: 2.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -243.409565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.409565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.409565 (E_RNA)
where:
Base-Base interactions energy: -165.260
where: short stacking energy: -77.562
Base-Backbone interact. energy: 0.636
local terms energy: -78.785053
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -18.124
flat angles P-C4'-P energy: -8.269
tors. eta vs tors. theta energy: -19.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -240.869076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.869076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.869076 (E_RNA)
where:
Base-Base interactions energy: -173.185
where: short stacking energy: -76.878
Base-Backbone interact. energy: -0.446
local terms energy: -67.237925
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -14.366
flat angles P-C4'-P energy: -6.452
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: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -237.270709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.270709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.270709 (E_RNA)
where:
Base-Base interactions energy: -166.175
where: short stacking energy: -57.816
Base-Backbone interact. energy: 0.287
local terms energy: -71.382836
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -15.248
flat angles C4'-P-C4' energy: -14.599
flat angles P-C4'-P energy: -9.617
tors. eta vs tors. theta energy: -14.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -229.235007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.235007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.235007 (E_RNA)
where:
Base-Base interactions energy: -167.319
where: short stacking energy: -56.731
Base-Backbone interact. energy: -0.895
local terms energy: -61.020812
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -11.507
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -10.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -179.431858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.431858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.431858 (E_RNA)
where:
Base-Base interactions energy: -111.282
where: short stacking energy: -47.377
Base-Backbone interact. energy: -0.623
local terms energy: -67.526898
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -17.586
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -11.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -184.470847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.470847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.470847 (E_RNA)
where:
Base-Base interactions energy: -115.602
where: short stacking energy: -51.379
Base-Backbone interact. energy: -1.806
local terms energy: -67.063340
where:
bonds (distance) C4'-P energy: -9.728
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -16.903
flat angles P-C4'-P energy: -9.713
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: 7, replica: 7
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -97.500281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.500281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.500281 (E_RNA)
where:
Base-Base interactions energy: -45.371
where: short stacking energy: -45.371
Base-Backbone interact. energy: -0.464
local terms energy: -51.665027
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -11.415
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -8.762
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: 8, replica: 3
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -105.320017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.320017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.320017 (E_RNA)
where:
Base-Base interactions energy: -40.363
where: short stacking energy: -38.305
Base-Backbone interact. energy: -0.029
local terms energy: -64.928247
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -16.846
flat angles P-C4'-P energy: -7.033
tors. eta vs tors. theta energy: -7.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -107.709568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.709568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.709568 (E_RNA)
where:
Base-Base interactions energy: -49.959
where: short stacking energy: -49.959
Base-Backbone interact. energy: 1.739
local terms energy: -59.490503
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -10.868
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -10.873
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: 10, replica: 10
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -84.573007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.573007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.573007 (E_RNA)
where:
Base-Base interactions energy: -33.310
where: short stacking energy: -25.616
Base-Backbone interact. energy: -0.307
local terms energy: -50.955852
where:
bonds (distance) C4'-P energy: -12.672
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -11.474
flat angles P-C4'-P energy: -9.079
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: 2
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -239.323224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.323224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.323224 (E_RNA)
where:
Base-Base interactions energy: -159.418
where: short stacking energy: -74.642
Base-Backbone interact. energy: -0.099
local terms energy: -79.805941
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.207
tors. eta vs tors. theta energy: -18.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -239.308647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.308647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.308647 (E_RNA)
where:
Base-Base interactions energy: -159.722
where: short stacking energy: -72.478
Base-Backbone interact. energy: -0.306
local terms energy: -79.280847
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -17.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -236.633485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.633485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.633485 (E_RNA)
where:
Base-Base interactions energy: -160.076
where: short stacking energy: -66.355
Base-Backbone interact. energy: -0.175
local terms energy: -76.382939
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -14.434
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -9.406
tors. eta vs tors. theta energy: -19.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -234.389159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.389159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.389159 (E_RNA)
where:
Base-Base interactions energy: -162.238
where: short stacking energy: -62.298
Base-Backbone interact. energy: -0.157
local terms energy: -71.993638
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -13.976
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -11.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -172.087723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.087723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.087723 (E_RNA)
where:
Base-Base interactions energy: -109.270
where: short stacking energy: -48.461
Base-Backbone interact. energy: 0.438
local terms energy: -63.255952
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -9.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -186.261664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.261664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.261664 (E_RNA)
where:
Base-Base interactions energy: -113.918
where: short stacking energy: -57.099
Base-Backbone interact. energy: 0.275
local terms energy: -72.618771
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -15.980
flat angles P-C4'-P energy: -13.212
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: 7
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -94.068383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.068383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.068383 (E_RNA)
where:
Base-Base interactions energy: -35.870
where: short stacking energy: -35.870
Base-Backbone interact. energy: -0.377
local terms energy: -57.821639
where:
bonds (distance) C4'-P energy: -15.606
bonds (distance) P-C4' energy: -15.734
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -0.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -85.993369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.993369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.993369 (E_RNA)
where:
Base-Base interactions energy: -35.552
where: short stacking energy: -31.194
Base-Backbone interact. energy: -0.163
local terms energy: -50.278721
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.002
tors. eta vs tors. theta energy: -4.002
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: 3
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.515655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.515655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.515655 (E_RNA)
where:
Base-Base interactions energy: -35.699
where: short stacking energy: -35.699
Base-Backbone interact. energy: -0.082
local terms energy: -54.734750
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -12.880
flat angles C4'-P-C4' energy: -11.529
flat angles P-C4'-P energy: -6.976
tors. eta vs tors. theta energy: -7.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -82.223468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.223468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.223468 (E_RNA)
where:
Base-Base interactions energy: -40.493
where: short stacking energy: -37.839
Base-Backbone interact. energy: 1.297
local terms energy: -43.027639
where:
bonds (distance) C4'-P energy: -11.027
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -8.614
flat angles P-C4'-P energy: -7.671
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: 1, replica: 2
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -244.822552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.822552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.822552 (E_RNA)
where:
Base-Base interactions energy: -167.362
where: short stacking energy: -75.559
Base-Backbone interact. energy: 1.215
local terms energy: -78.675027
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -12.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -238.245140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.245140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.245140 (E_RNA)
where:
Base-Base interactions energy: -160.733
where: short stacking energy: -70.070
Base-Backbone interact. energy: -0.197
local terms energy: -77.314700
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -16.997
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -15.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -235.420936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.420936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.420936 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -68.463
Base-Backbone interact. energy: 0.269
local terms energy: -70.980103
where:
bonds (distance) C4'-P energy: -16.256
bonds (distance) P-C4' energy: -11.082
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.483
tors. eta vs tors. theta energy: -20.271
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: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -235.561079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.561079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.561079 (E_RNA)
where:
Base-Base interactions energy: -162.371
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.422
local terms energy: -72.767935
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -16.820
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -10.588
tors. eta vs tors. theta energy: -14.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -177.198564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.198564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.198564 (E_RNA)
where:
Base-Base interactions energy: -106.305
where: short stacking energy: -61.228
Base-Backbone interact. energy: -0.009
local terms energy: -70.885426
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -16.986
flat angles C4'-P-C4' energy: -11.079
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -18.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -186.990059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.990059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.990059 (E_RNA)
where:
Base-Base interactions energy: -118.153
where: short stacking energy: -59.901
Base-Backbone interact. energy: -0.714
local terms energy: -68.123713
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -11.927
tors. eta vs tors. theta energy: -12.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -92.503542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.503542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.503542 (E_RNA)
where:
Base-Base interactions energy: -31.771
where: short stacking energy: -30.673
Base-Backbone interact. energy: -0.167
local terms energy: -60.565535
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.387
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -4.949
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: 8, replica: 7
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -90.759587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.759587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.759587 (E_RNA)
where:
Base-Base interactions energy: -39.411
where: short stacking energy: -33.250
Base-Backbone interact. energy: -0.319
local terms energy: -51.029653
where:
bonds (distance) C4'-P energy: -16.083
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -15.409
flat angles P-C4'-P energy: -2.325
tors. eta vs tors. theta energy: -1.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -92.574076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.574076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.574076 (E_RNA)
where:
Base-Base interactions energy: -28.675
where: short stacking energy: -28.675
Base-Backbone interact. energy: -0.330
local terms energy: -63.569623
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -14.354
flat angles C4'-P-C4' energy: -11.706
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -86.066957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.066957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.066957 (E_RNA)
where:
Base-Base interactions energy: -33.522
where: short stacking energy: -32.474
Base-Backbone interact. energy: -0.108
local terms energy: -52.437633
where:
bonds (distance) C4'-P energy: -13.574
bonds (distance) P-C4' energy: -5.608
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -8.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -243.483662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.483662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.483662 (E_RNA)
where:
Base-Base interactions energy: -163.835
where: short stacking energy: -67.523
Base-Backbone interact. energy: 0.066
local terms energy: -79.714411
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -19.088
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: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -244.830490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.830490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.830490 (E_RNA)
where:
Base-Base interactions energy: -167.859
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.442
local terms energy: -76.529373
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -16.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -239.218935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.218935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.218935 (E_RNA)
where:
Base-Base interactions energy: -163.480
where: short stacking energy: -70.269
Base-Backbone interact. energy: -0.392
local terms energy: -75.346588
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -13.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 497
Temperature: 1.050000
Total energy: -232.300726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.300726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.300726 (E_RNA)
where:
Base-Base interactions energy: -163.951
where: short stacking energy: -61.098
Base-Backbone interact. energy: -0.693
local terms energy: -67.656366
where:
bonds (distance) C4'-P energy: -16.728
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -8.151
tors. eta vs tors. theta energy: -11.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -177.192140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.192140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.192140 (E_RNA)
where:
Base-Base interactions energy: -98.541
where: short stacking energy: -65.335
Base-Backbone interact. energy: -0.139
local terms energy: -78.512929
where:
bonds (distance) C4'-P energy: -17.991
bonds (distance) P-C4' energy: -19.191
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -7.611
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: 6, replica: 5
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -104.549641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.549641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.549641 (E_RNA)
where:
Base-Base interactions energy: -48.296
where: short stacking energy: -42.392
Base-Backbone interact. energy: -0.048
local terms energy: -56.205291
where:
bonds (distance) C4'-P energy: -13.275
bonds (distance) P-C4' energy: -10.739
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -7.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -166.720296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.720296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.720296 (E_RNA)
where:
Base-Base interactions energy: -102.530
where: short stacking energy: -53.589
Base-Backbone interact. energy: 0.087
local terms energy: -64.276907
where:
bonds (distance) C4'-P energy: -16.232
bonds (distance) P-C4' energy: -13.809
flat angles C4'-P-C4' energy: -9.960
flat angles P-C4'-P energy: -11.804
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: 8, replica: 10
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -94.137349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.137349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.137349 (E_RNA)
where:
Base-Base interactions energy: -41.445
where: short stacking energy: -36.312
Base-Backbone interact. energy: -0.251
local terms energy: -52.441632
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -13.640
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.270
tors. eta vs tors. theta energy: -3.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -78.454823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.454823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.454823 (E_RNA)
where:
Base-Base interactions energy: -25.661
where: short stacking energy: -24.233
Base-Backbone interact. energy: -0.539
local terms energy: -52.254626
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -14.221
flat angles C4'-P-C4' energy: -14.048
flat angles P-C4'-P energy: -9.875
tors. eta vs tors. theta energy: -1.555
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: 10, replica: 3
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -84.864843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.864843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.864843 (E_RNA)
where:
Base-Base interactions energy: -31.958
where: short stacking energy: -24.072
Base-Backbone interact. energy: -1.557
local terms energy: -51.349867
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -15.051
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -7.509
tors. eta vs tors. theta energy: 0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -247.167177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.167177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.167177 (E_RNA)
where:
Base-Base interactions energy: -167.400
where: short stacking energy: -76.463
Base-Backbone interact. energy: 0.191
local terms energy: -79.958127
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -17.106
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -16.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -240.659860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.659860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.659860 (E_RNA)
where:
Base-Base interactions energy: -154.678
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.012
local terms energy: -85.970765
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -19.904
flat angles C4'-P-C4' energy: -16.756
flat angles P-C4'-P energy: -12.887
tors. eta vs tors. theta energy: -18.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -230.832899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.832899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.832899 (E_RNA)
where:
Base-Base interactions energy: -155.918
where: short stacking energy: -56.659
Base-Backbone interact. energy: -0.230
local terms energy: -74.685432
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -10.902
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: 4, replica: 6
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -228.510447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.510447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.510447 (E_RNA)
where:
Base-Base interactions energy: -156.689
where: short stacking energy: -72.730
Base-Backbone interact. energy: -0.382
local terms energy: -71.439310
where:
bonds (distance) C4'-P energy: -11.153
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -13.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -185.658639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.658639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.658639 (E_RNA)
where:
Base-Base interactions energy: -108.870
where: short stacking energy: -60.841
Base-Backbone interact. energy: 0.290
local terms energy: -77.079168
where:
bonds (distance) C4'-P energy: -17.761
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -16.622
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -14.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -102.327612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.327612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.327612 (E_RNA)
where:
Base-Base interactions energy: -34.788
where: short stacking energy: -34.635
Base-Backbone interact. energy: -0.024
local terms energy: -67.515266
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -15.010
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -7.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -157.485610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.485610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.485610 (E_RNA)
where:
Base-Base interactions energy: -95.465
where: short stacking energy: -41.310
Base-Backbone interact. energy: -0.252
local terms energy: -61.768579
where:
bonds (distance) C4'-P energy: -9.426
bonds (distance) P-C4' energy: -16.585
flat angles C4'-P-C4' energy: -16.326
flat angles P-C4'-P energy: -11.713
tors. eta vs tors. theta energy: -7.718
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: 10
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -96.370046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.370046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.370046 (E_RNA)
where:
Base-Base interactions energy: -36.454
where: short stacking energy: -36.454
Base-Backbone interact. energy: -0.223
local terms energy: -59.692958
where:
bonds (distance) C4'-P energy: -11.128
bonds (distance) P-C4' energy: -14.053
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -9.469
tors. eta vs tors. theta energy: -8.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -94.690154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.690154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.690154 (E_RNA)
where:
Base-Base interactions energy: -32.863
where: short stacking energy: -31.464
Base-Backbone interact. energy: 0.073
local terms energy: -61.900162
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -16.243
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -10.016
tors. eta vs tors. theta energy: -3.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -89.789979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.789979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.789979 (E_RNA)
where:
Base-Base interactions energy: -35.063
where: short stacking energy: -31.578
Base-Backbone interact. energy: 0.457
local terms energy: -55.183759
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -12.394
flat angles P-C4'-P energy: -3.484
tors. eta vs tors. theta energy: -5.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -242.900736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.900736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.900736 (E_RNA)
where:
Base-Base interactions energy: -162.552
where: short stacking energy: -79.447
Base-Backbone interact. energy: -0.251
local terms energy: -80.097912
where:
bonds (distance) C4'-P energy: -16.906
bonds (distance) P-C4' energy: -18.474
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -8.999
tors. eta vs tors. theta energy: -17.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -242.617263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.617263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.617263 (E_RNA)
where:
Base-Base interactions energy: -169.958
where: short stacking energy: -64.012
Base-Backbone interact. energy: 0.802
local terms energy: -73.460627
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -10.510
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -240.786153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.786153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.786153 (E_RNA)
where:
Base-Base interactions energy: -164.851
where: short stacking energy: -64.200
Base-Backbone interact. energy: -0.905
local terms energy: -75.030458
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -13.617
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: 4, replica: 6
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -225.608849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.608849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.608849 (E_RNA)
where:
Base-Base interactions energy: -149.059
where: short stacking energy: -60.013
Base-Backbone interact. energy: -0.919
local terms energy: -75.630631
where:
bonds (distance) C4'-P energy: -11.884
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -14.365
flat angles P-C4'-P energy: -12.671
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: 5, replica: 8
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -180.318560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.318560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.318560 (E_RNA)
where:
Base-Base interactions energy: -110.050
where: short stacking energy: -52.590
Base-Backbone interact. energy: -0.007
local terms energy: -70.261573
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -15.243
flat angles P-C4'-P energy: -8.838
tors. eta vs tors. theta energy: -13.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -175.920666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920666 (E_RNA)
where:
Base-Base interactions energy: -95.811
where: short stacking energy: -63.286
Base-Backbone interact. energy: -0.666
local terms energy: -79.443735
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -15.263
tors. eta vs tors. theta energy: -18.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -95.372515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.372515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.372515 (E_RNA)
where:
Base-Base interactions energy: -33.826
where: short stacking energy: -33.826
Base-Backbone interact. energy: -0.114
local terms energy: -61.432248
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -14.668
flat angles C4'-P-C4' energy: -13.630
flat angles P-C4'-P energy: -8.475
tors. eta vs tors. theta energy: -7.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -102.987664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.987664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.987664 (E_RNA)
where:
Base-Base interactions energy: -44.425
where: short stacking energy: -44.104
Base-Backbone interact. energy: -0.173
local terms energy: -58.389897
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -1.515
tors. eta vs tors. theta energy: -10.009
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: 10
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -83.927850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.927850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.927850 (E_RNA)
where:
Base-Base interactions energy: -33.222
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.112
local terms energy: -50.593155
where:
bonds (distance) C4'-P energy: -14.270
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -2.147
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: 10, replica: 7
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -95.249247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.249247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.249247 (E_RNA)
where:
Base-Base interactions energy: -43.734
where: short stacking energy: -24.262
Base-Backbone interact. energy: -0.190
local terms energy: -51.325342
where:
bonds (distance) C4'-P energy: -13.913
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -13.165
flat angles P-C4'-P energy: -7.003
tors. eta vs tors. theta energy: -1.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 500
Temperature: 0.900000
Total energy: -241.427999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.427999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.427999 (E_RNA)
where:
Base-Base interactions energy: -161.280
where: short stacking energy: -79.076
Base-Backbone interact. energy: -0.489
local terms energy: -79.659022
where:
bonds (distance) C4'-P energy: -14.795
bonds (distance) P-C4' energy: -16.468
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -19.901
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: 4
=====================================
Write number: 500
Temperature: 0.950000
Total energy: -252.025350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.025350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.025350 (E_RNA)
where:
Base-Base interactions energy: -176.491
where: short stacking energy: -67.896
Base-Backbone interact. energy: -0.516
local terms energy: -75.018086
where:
bonds (distance) C4'-P energy: -14.485
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.499
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -15.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 500
Temperature: 1.000000
Total energy: -235.901927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.901927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.901927 (E_RNA)
where:
Base-Base interactions energy: -163.821
where: short stacking energy: -62.519
Base-Backbone interact. energy: -0.334
local terms energy: -71.746209
where:
bonds (distance) C4'-P energy: -16.987
bonds (distance) P-C4' energy: -15.448
flat angles C4'-P-C4' energy: -14.377
flat angles P-C4'-P energy: -7.338
tors. eta vs tors. theta energy: -17.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 500
Temperature: 1.050000
Total energy: -234.065155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.065155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.065155 (E_RNA)
where:
Base-Base interactions energy: -156.632
where: short stacking energy: -65.144
Base-Backbone interact. energy: -0.216
local terms energy: -77.217162
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -12.687
tors. eta vs tors. theta energy: -14.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 500
Temperature: 1.100000
Total energy: -183.193055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.193055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.193055 (E_RNA)
where:
Base-Base interactions energy: -109.310
where: short stacking energy: -69.469
Base-Backbone interact. energy: -0.012
local terms energy: -73.871298
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -13.062
flat angles P-C4'-P energy: -8.636
tors. eta vs tors. theta energy: -18.454
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: 500
Temperature: 1.150000
Total energy: -155.080681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.080681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.080681 (E_RNA)
where:
Base-Base interactions energy: -87.341
where: short stacking energy: -51.305
Base-Backbone interact. energy: -0.117
local terms energy: -67.622592
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -12.350
flat angles P-C4'-P energy: -7.827
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: 7, replica: 3
=====================================
Write number: 500
Temperature: 1.200000
Total energy: -94.810090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.810090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.810090 (E_RNA)
where:
Base-Base interactions energy: -25.055
where: short stacking energy: -25.755
Base-Backbone interact. energy: -0.148
local terms energy: -69.607314
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -18.759
flat angles C4'-P-C4' energy: -15.844
flat angles P-C4'-P energy: -13.626
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: 8, replica: 5
=====================================
Write number: 500
Temperature: 1.250000
Total energy: -96.512479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.512479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.512479 (E_RNA)
where:
Base-Base interactions energy: -43.970
where: short stacking energy: -23.998
Base-Backbone interact. energy: -0.275
local terms energy: -52.267245
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -6.297
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: 9, replica: 7
=====================================
Write number: 500
Temperature: 1.300000
Total energy: -93.530439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.530439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.530439 (E_RNA)
where:
Base-Base interactions energy: -34.706
where: short stacking energy: -33.796
Base-Backbone interact. energy: -0.035
local terms energy: -58.788898
where:
bonds (distance) C4'-P energy: -13.084
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -10.945
flat angles P-C4'-P energy: -12.664
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: 10
=====================================
Write number: 500
Temperature: 1.350000
Total energy: -81.117571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.117571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.117571 (E_RNA)
where:
Base-Base interactions energy: -26.253
where: short stacking energy: -26.319
Base-Backbone interact. energy: -1.193
local terms energy: -53.672412
where:
bonds (distance) C4'-P energy: -14.865
bonds (distance) P-C4' energy: -18.326
flat angles C4'-P-C4' energy: -10.865
flat angles P-C4'-P energy: -11.770
tors. eta vs tors. theta energy: 2.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 501
Temperature: 0.900000
Total energy: -241.327048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.327048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.327048 (E_RNA)
where:
Base-Base interactions energy: -155.291
where: short stacking energy: -74.780
Base-Backbone interact. energy: -0.445
local terms energy: -85.591372
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -13.455
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: 2, replica: 6
=====================================
Write number: 501
Temperature: 0.950000
Total energy: -243.403545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.403545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.403545 (E_RNA)
where:
Base-Base interactions energy: -166.003
where: short stacking energy: -72.521
Base-Backbone interact. energy: -0.921
local terms energy: -76.478914
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -9.935
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: 4
=====================================
Write number: 501
Temperature: 1.000000
Total energy: -240.140904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.140904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.140904 (E_RNA)
where:
Base-Base interactions energy: -160.162
where: short stacking energy: -62.883
Base-Backbone interact. energy: -0.394
local terms energy: -79.585459
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -13.148
tors. eta vs tors. theta energy: -17.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 501
Temperature: 1.050000
Total energy: -249.587863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.587863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.587863 (E_RNA)
where:
Base-Base interactions energy: -174.322
where: short stacking energy: -64.030
Base-Backbone interact. energy: -1.212
local terms energy: -74.054459
where:
bonds (distance) C4'-P energy: -10.705
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -13.033
tors. eta vs tors. theta energy: -15.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 501
Temperature: 1.100000
Total energy: -177.186581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.186581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.186581 (E_RNA)
where:
Base-Base interactions energy: -110.954
where: short stacking energy: -61.402
Base-Backbone interact. energy: -0.315
local terms energy: -65.918157
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -14.958
flat angles C4'-P-C4' energy: -15.628
flat angles P-C4'-P energy: -8.377
tors. eta vs tors. theta energy: -14.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 501
Temperature: 1.150000
Total energy: -181.741707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.741707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.741707 (E_RNA)
where:
Base-Base interactions energy: -108.281
where: short stacking energy: -60.035
Base-Backbone interact. energy: -0.115
local terms energy: -73.345938
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -17.862
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -9.289
tors. eta vs tors. theta energy: -14.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 501
Temperature: 1.200000
Total energy: -98.706976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.706976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.706976 (E_RNA)
where:
Base-Base interactions energy: -39.060
where: short stacking energy: -39.060
Base-Backbone interact. energy: -0.202
local terms energy: -59.445212
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -12.486
flat angles C4'-P-C4' energy: -12.328
flat angles P-C4'-P energy: -6.617
tors. eta vs tors. theta energy: -10.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 501
Temperature: 1.250000
Total energy: -105.991716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.991716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.991716 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -40.869
Base-Backbone interact. energy: -0.011
local terms energy: -65.111510
where:
bonds (distance) C4'-P energy: -7.872
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -10.920
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: 9, replica: 7
=====================================
Write number: 501
Temperature: 1.300000
Total energy: -92.883236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.883236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.883236 (E_RNA)
where:
Base-Base interactions energy: -33.636
where: short stacking energy: -22.982
Base-Backbone interact. energy: -0.009
local terms energy: -59.238589
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -14.393
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -5.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 501
Temperature: 1.350000
Total energy: -80.530684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.530684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.530684 (E_RNA)
where:
Base-Base interactions energy: -27.931
where: short stacking energy: -27.931
Base-Backbone interact. energy: -0.712
local terms energy: -51.887239
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.494
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -6.509
tors. eta vs tors. theta energy: -2.568
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)
replica 9 ended at temp. level: 1, temp: 0.900000
for this replica:
moves confirmed at first: 15633520
moves confirmed later: 17788272
all moves confirmed: 33421792
percent of confirmed moves: 4.177724
current total energy: -232.477324
recalc. total energy: -232.477324
replica 6 ended at temp. level: 2, temp: 0.950000
for this replica:
moves confirmed at first: 13569997
moves confirmed later: 15255807
all moves confirmed: 28825804
percent of confirmed moves: 3.603226
current total energy: -202.308936
recalc. total energy: -202.308936
replica 2 ended at temp. level: 3, temp: 1.000000
for this replica:
moves confirmed at first: 11919141
moves confirmed later: 13169759
all moves confirmed: 25088900
percent of confirmed moves: 3.136112
current total energy: -205.038348
recalc. total energy: -205.038348
replica 4 ended at temp. level: 4, temp: 1.050000
for this replica:
moves confirmed at first: 16294377
moves confirmed later: 18846226
all moves confirmed: 35140603
percent of confirmed moves: 4.392575
current total energy: -204.936975
recalc. total energy: -204.936975
replica 1 ended at temp. level: 5, temp: 1.100000
for this replica:
moves confirmed at first: 15968216
moves confirmed later: 18350532
all moves confirmed: 34318748
percent of confirmed moves: 4.289843
current total energy: -140.191417
recalc. total energy: -140.191417
replica 8 ended at temp. level: 6, temp: 1.150000
for this replica:
moves confirmed at first: 26014829
moves confirmed later: 31558289
all moves confirmed: 57573118
percent of confirmed moves: 7.196640
current total energy: -152.087904
recalc. total energy: -152.087904
replica 5 ended at temp. level: 7, temp: 1.200000
for this replica:
moves confirmed at first: 25059358
moves confirmed later: 30218559
all moves confirmed: 55277917
percent of confirmed moves: 6.909740
current total energy: -42.483903
recalc. total energy: -42.483903
replica 3 ended at temp. level: 8, temp: 1.250000
for this replica:
moves confirmed at first: 26329143
moves confirmed later: 31915645
all moves confirmed: 58244788
percent of confirmed moves: 7.280598
current total energy: -46.501491
recalc. total energy: -46.501491
replica 10 ended at temp. level: 9, temp: 1.300000
for this replica:
moves confirmed at first: 24961691
moves confirmed later: 30119356
all moves confirmed: 55081047
percent of confirmed moves: 6.885131
current total energy: -50.779416
recalc. total energy: -50.779416
replica 7 ended at temp. level: 10, temp: 1.350000
for this replica:
moves confirmed at first: 25033693
moves confirmed later: 30228664
all moves confirmed: 55262357
percent of confirmed moves: 6.907795
current total energy: -38.481218
recalc. total energy: -38.481218
out arg RESULTS//1/jev3-67f1268b_01
Time of doing 8000000 iterations: 3401.636 seconds